 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer00_STD_B3LYPDBJ_augccpVDZ.in
 Output=31_naproxen_conformer00_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/31_naproxen/Gau-47768.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/31_naproxen/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     47769.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                29-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=64GB
 %chk=31_naproxen_conformer00_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep 29 11:25:30 2021, MaxMem=  8589934592 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer00_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 3.352380000000      0.081536000000     -0.094047000000
  C                                                 2.853162000000     -1.229651000000      0.086888000000
  C                                                 2.486454000000      1.151296000000     -0.114829000000
  C                                                 1.100546000000      0.960772000000      0.042252000000
  C                                                 0.590185000000     -0.359596000000      0.227036000000
  C                                                 1.505764000000     -1.433604000000      0.242412000000
  C                                                 0.178320000000      2.035716000000      0.022349000000
  C                                                -1.162617000000      1.813105000000      0.178068000000
  C                                                -1.675581000000      0.507253000000      0.370446000000
  C                                                -0.800954000000     -0.550815000000      0.386518000000
  C                                                -3.175000000000      0.316508000000      0.539158000000
  O                                                 4.675062000000      0.363691000000     -0.254438000000
  C                                                 5.607556000000     -0.703149000000     -0.244694000000
  H                                                 3.524663000000     -2.074808000000      0.103947000000
  H                                                 2.886450000000      2.147038000000     -0.255665000000
  H                                                 1.129072000000     -2.439742000000      0.380890000000
  H                                                 0.550726000000      3.042648000000     -0.120102000000
  H                                                -1.852677000000      2.647425000000      0.153954000000
  H                                                -1.168601000000     -1.561255000000      0.512106000000
  H                                                -3.627638000000      1.305010000000      0.609167000000
  C                                                -3.546747000000     -0.494005000000      1.785225000000
  C                                                -3.751553000000     -0.273210000000     -0.735630000000
  H                                                 6.583819000000     -0.246740000000     -0.388953000000
  H                                                 5.417122000000     -1.410440000000     -1.057092000000
  H                                                 5.597238000000     -1.237035000000      0.709988000000
  H                                                -3.163624000000      0.008881000000      2.673322000000
  H                                                -3.125429000000     -1.496647000000      1.749497000000
  H                                                -4.629967000000     -0.586055000000      1.879701000000
  O                                                -4.295658000000      0.357517000000     -1.603525000000
  O                                                -3.574263000000     -1.613892000000     -0.819614000000
  H                                                -3.933780000000     -1.889738000000     -1.677049000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          16          12           1           1           1           1           1           1           1
 AtmWgt=  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           1           1           1           1           1           1           1
 AtZEff=   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12           1           1           1           1           1           1          16          16
 AtmWgt=  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146
 NucSpn=           0           0           1           1           1           1           1           1           0           0
 AtZEff=   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep 29 11:25:30 2021, MaxMem=  8589934592 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        3.352380    0.081536   -0.094047
      2          6           0        2.853162   -1.229651    0.086888
      3          6           0        2.486454    1.151296   -0.114829
      4          6           0        1.100546    0.960772    0.042252
      5          6           0        0.590185   -0.359596    0.227036
      6          6           0        1.505764   -1.433604    0.242412
      7          6           0        0.178320    2.035716    0.022349
      8          6           0       -1.162617    1.813105    0.178068
      9          6           0       -1.675581    0.507253    0.370446
     10          6           0       -0.800954   -0.550815    0.386518
     11          6           0       -3.175000    0.316508    0.539158
     12          8           0        4.675062    0.363691   -0.254438
     13          6           0        5.607556   -0.703149   -0.244694
     14          1           0        3.524663   -2.074808    0.103947
     15          1           0        2.886450    2.147038   -0.255665
     16          1           0        1.129072   -2.439742    0.380890
     17          1           0        0.550726    3.042648   -0.120102
     18          1           0       -1.852677    2.647425    0.153954
     19          1           0       -1.168601   -1.561255    0.512106
     20          1           0       -3.627638    1.305010    0.609167
     21          6           0       -3.546747   -0.494005    1.785225
     22          6           0       -3.751553   -0.273210   -0.735630
     23          1           0        6.583819   -0.246740   -0.388953
     24          1           0        5.417122   -1.410440   -1.057092
     25          1           0        5.597238   -1.237035    0.709988
     26          1           0       -3.163624    0.008881    2.673322
     27          1           0       -3.125429   -1.496647    1.749497
     28          1           0       -4.629967   -0.586055    1.879701
     29          8           0       -4.295658    0.357517   -1.603525
     30          8           0       -3.574263   -1.613892   -0.819614
     31          1           0       -3.933780   -1.889738   -1.677049
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.414626   0.000000
     3  C    1.376461   2.417452   0.000000
     4  C    2.421237   2.805639   1.407734   0.000000
     5  C    2.815566   2.428518   2.448572   1.427580   0.000000
     6  C    2.412228   1.371592   2.787666   2.436658   1.411387
     7  C    3.729212   4.221560   2.475581   1.416475   2.439067
     8  C    4.843302   5.039163   3.720148   2.422153   2.792014
     9  C    5.067285   4.858678   4.239436   2.832008   2.430162
    10  C    4.228592   3.728694   3.735717   2.453389   1.413247
    11  C    6.562229   6.239703   5.759916   4.352274   3.838119
    12  O    1.361919   2.444292   2.330197   3.636165   4.176264
    13  C    2.392539   2.823798   3.632783   4.812911   5.051195
    14  H    2.172257   1.079581   3.396099   3.885215   3.401215
    15  H    2.123561   3.394183   1.082282   2.164586   3.433518
    16  H    3.394924   2.126792   3.870888   3.417453   2.154316
    17  H    4.076534   4.857633   2.706341   2.159368   3.420135
    18  H    5.808434   6.097634   4.597685   3.402764   3.874931
    19  H    4.848242   4.057752   4.594606   3.424969   2.149088
    20  H    7.121239   6.978399   6.158727   4.774476   4.550491
    21  C    7.173623   6.662159   6.535804   5.172201   4.422694
    22  C    7.141662   6.724104   6.428635   5.066624   4.448019
    23  H    3.261431   3.887202   4.337977   5.631190   6.026261
    24  H    2.723345   2.813408   4.004893   5.046190   5.104173
    25  H    2.724792   2.813941   4.007671   5.049403   5.106243
    26  H    7.079683   6.665232   6.403302   5.100174   4.495684
    27  H    6.917465   6.211208   6.479239   5.178075   4.173315
    28  H    8.249801   7.721762   7.592100   6.213507   5.480198
    29  O    7.800460   7.515466   6.988801   5.673757   5.266561
    30  O    7.167936   6.502398   6.698901   5.406066   4.473406
    31  H    7.712324   7.043420   7.273776   6.035382   5.141316
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.721118   0.000000
     8  C    4.203037   1.368180   0.000000
     9  C    3.728844   2.427822   1.416118   0.000000
    10  C    2.474072   2.789577   2.400494   1.372858   0.000000
    11  C    5.006047   3.803620   2.533747   1.520889   2.532122
    12  O    3.677170   4.805514   6.030453   6.382927   5.588729
    13  C    4.194703   6.086813   7.235019   7.408614   6.441322
    14  H    2.122797   5.301045   6.090317   5.812108   4.594928
    15  H    3.869803   2.724638   4.085900   4.888050   4.613866
    16  H    1.083230   4.589358   4.835254   4.068288   2.700570
    17  H    4.591334   1.083001   2.129842   3.409591   3.872555
    18  H    5.285996   2.125196   1.082984   2.158372   3.374751
    19  H    2.690959   3.871984   3.390859   2.134437   1.082555
    20  H    5.829780   3.919643   2.553495   2.122247   3.388776
    21  C    5.365723   4.835633   3.686433   2.550565   3.082043
    22  C    5.471971   4.620560   3.448209   2.478343   3.168961
    23  H    5.252991   6.812429   8.035655   8.328438   7.431601
    24  H    4.121646   6.362879   7.430332   7.484774   6.441074
    25  H    4.122793   6.367764   7.435182   7.486770   6.443011
    26  H    5.458321   4.722744   3.672267   2.786734   3.335407
    27  H    4.870650   5.135697   4.156498   2.831864   2.855783
    28  H    6.406735   5.782998   4.546871   3.493075   4.110009
    29  O    6.346030   5.047405   3.886998   3.283868   4.122899
    30  O    5.192983   5.301926   4.307634   3.085529   3.205640
    31  H    5.786279   5.933507   4.983157   3.877791   3.983167
                   11         12         13         14         15
    11  C    0.000000
    12  O    7.890215   0.000000
    13  C    8.876227   1.416964   0.000000
    14  H    7.126941   2.719951   2.518222   0.000000
    15  H    6.381517   2.525759   3.940572   4.284929   0.000000
    16  H    5.113414   4.564748   4.843958   2.439002   4.952992
    17  H    4.663421   4.919858   6.294287   5.923078   2.505215
    18  H    2.707415   6.927741   8.187817   7.156659   4.783043
    19  H    2.748156   6.200113   6.872074   4.738888   5.548364
    20  H    1.089458   8.400400   9.489499   7.926779   6.624975
    21  C    1.532257   8.514341   9.378997   7.438446   7.247507
    22  C    1.518310   8.464339   9.381833   7.542809   7.081741
    23  H    9.819022   2.008500   1.087294   3.597668   4.406640
    24  H    8.908138   2.083854   1.093854   2.317498   4.438720
    25  H    8.910378   2.083951   1.093873   2.316186   4.442162
    26  H    2.156251   8.375122   9.271214   7.461677   7.053657
    27  H    2.180575   8.265850   8.992856   6.875015   7.310253
    28  H    2.174535   9.593755  10.456273   8.477481   8.278050
    29  O    2.418398   9.071598  10.052118   8.365948   7.523416
    30  O    2.394184   8.501860   9.244771   7.173574   7.496896
    31  H    3.217894   9.011877   9.720943   7.670370   8.051797
                   16         17         18         19         20
    16  H    0.000000
    17  H    5.535529   0.000000
    18  H    5.900983   2.451052   0.000000
    19  H    2.463383   4.954967   4.278927   0.000000
    20  H    6.058182   4.583661   2.271516   3.777798   0.000000
    21  C    5.255600   5.738246   3.924220   2.900937   2.150840
    22  C    5.455362   5.466571   3.595441   3.144447   2.077164
    23  H    5.929265   6.876814   8.935626   7.914536  10.376802
    24  H    4.638386   6.662564   8.413256   6.771770   9.589461
    25  H    4.638892   6.668734   8.420180   6.776493   9.569247
    26  H    5.447774   5.550077   3.876559   3.334111   2.481128
    27  H    4.567635   6.133084   4.619414   2.316136   3.066243
    28  H    6.232906   6.633723   4.598580   3.847387   2.488985
    29  O    6.417964   5.735670   3.781609   4.235099   2.497999
    30  O    4.923880   6.260049   4.697927   2.750174   3.250270
    31  H    5.492730   6.845678   5.316899   3.542106   3.940421
                   21         22         23         24         25
    21  C    0.000000
    22  C    2.538780   0.000000
    23  H   10.364196  10.341218   0.000000
    24  H    9.448257   9.244524   1.778142   0.000000
    25  H    9.236920   9.508873   1.778116   1.784680   0.000000
    26  H    1.090135   3.470762  10.220348   9.463597   9.064198
    27  H    1.088153   2.839839  10.020216   8.992194   8.788225
    28  H    1.091222   2.776588  11.446000  10.499922  10.314443
    29  O    3.573455   1.202958  10.963728   9.887485  10.284179
    30  O    2.835505   1.354959  10.258714   8.996821   9.305812
    31  H    3.753026   1.879532  10.722804   9.383680   9.847044
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.766784   0.000000
    28  H    1.770295   1.763453   0.000000
    29  O    4.437845   4.006260   3.624218   0.000000
    30  O    3.873321   2.610657   3.075266   2.240844   0.000000
    31  H    4.808703   3.542481   3.851589   2.277392   0.969814
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.46D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        3.352380    0.081536   -0.094047
      2          6           0        2.853162   -1.229651    0.086888
      3          6           0        2.486454    1.151296   -0.114829
      4          6           0        1.100546    0.960772    0.042252
      5          6           0        0.590185   -0.359596    0.227036
      6          6           0        1.505764   -1.433604    0.242412
      7          6           0        0.178320    2.035716    0.022349
      8          6           0       -1.162617    1.813105    0.178068
      9          6           0       -1.675581    0.507253    0.370446
     10          6           0       -0.800954   -0.550815    0.386518
     11          6           0       -3.175000    0.316508    0.539158
     12          8           0        4.675062    0.363691   -0.254438
     13          6           0        5.607556   -0.703149   -0.244694
     14          1           0        3.524663   -2.074808    0.103947
     15          1           0        2.886450    2.147038   -0.255665
     16          1           0        1.129072   -2.439742    0.380890
     17          1           0        0.550726    3.042648   -0.120102
     18          1           0       -1.852677    2.647425    0.153954
     19          1           0       -1.168601   -1.561255    0.512106
     20          1           0       -3.627638    1.305010    0.609167
     21          6           0       -3.546747   -0.494005    1.785225
     22          6           0       -3.751553   -0.273210   -0.735630
     23          1           0        6.583819   -0.246740   -0.388953
     24          1           0        5.417122   -1.410440   -1.057092
     25          1           0        5.597238   -1.237035    0.709988
     26          1           0       -3.163624    0.008881    2.673322
     27          1           0       -3.125429   -1.496647    1.749497
     28          1           0       -4.629967   -0.586055    1.879701
     29          8           0       -4.295658    0.357517   -1.603525
     30          8           0       -3.574263   -1.613892   -0.819614
     31          1           0       -3.933780   -1.889738   -1.677049
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.2770957           0.2099576           0.1981845
 Leave Link  202 at Wed Sep 29 11:25:30 2021, MaxMem=  8589934592 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      14     15     16     17     18     19     20     23     24     25
 Centers:      26     27     28     31
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     13     21     22
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      12     29     30
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  51 primitive shells out of 588 were deleted.
 There are   551 symmetry adapted cartesian basis functions of A   symmetry.
 There are   517 symmetry adapted basis functions of A   symmetry.
   517 basis functions,   967 primitive gaussians,   551 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1132.7082601997 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0634084600 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1132.6448517396 Hartrees.
 Leave Link  301 at Wed Sep 29 11:25:32 2021, MaxMem=  8589934592 cpu:              13.9 elap:               1.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   517 RedAO= T EigKep=  1.11D-06  NBF=   517
 NBsUse=   514 1.00D-06 EigRej=  8.80D-07 NBFU=   514
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   551   551   551   551   551 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Wed Sep 29 11:25:33 2021, MaxMem=  8589934592 cpu:               7.5 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep 29 11:25:34 2021, MaxMem=  8589934592 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer00_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep 29 11:25:35 2021, MaxMem=  8589934592 cpu:               8.8 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  8589934592 LenX=  8589317803 LenY=  8589013651
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 960000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -767.763865616478    
 DIIS: error= 1.74D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -767.763865616478     IErMin= 1 ErrMin= 1.74D-03
 ErrMax= 1.74D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.66D-03 BMatP= 7.66D-03
 IDIUse=3 WtCom= 9.83D-01 WtEn= 1.74D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.160 Goal=   None    Shift=    0.000
 GapD=    0.160 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.91D-02 MaxDP=9.00D+00              OVMax= 1.29D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.50D-02    CP:  1.56D+00
 E= -767.770171960828     Delta-E=       -0.006306344350 Rises=F Damp=F
 DIIS: error= 4.27D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -767.770171960828     IErMin= 2 ErrMin= 4.27D-04
 ErrMax= 4.27D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.00D-04 BMatP= 7.66D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.27D-03
 Coeff-Com:  0.247D-01 0.975D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.246D-01 0.975D+00
 Gap=     0.161 Goal=   None    Shift=    0.000
 RMSDP=2.97D-03 MaxDP=3.10D-01 DE=-6.31D-03 OVMax= 4.44D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.45D-04    CP:  1.57D+00  1.04D+00
 E= -767.769952075384     Delta-E=        0.000219885444 Rises=F Damp=F
 DIIS: error= 6.76D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -767.770171960828     IErMin= 2 ErrMin= 4.27D-04
 ErrMax= 6.76D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.10D-04 BMatP= 2.00D-04
 IDIUse=3 WtCom= 2.78D-01 WtEn= 7.22D-01
 Coeff-Com: -0.865D-02 0.622D+00 0.387D+00
 Coeff-En:   0.000D+00 0.680D+00 0.320D+00
 Coeff:     -0.240D-02 0.664D+00 0.338D+00
 Gap=     0.160 Goal=   None    Shift=    0.000
 RMSDP=2.46D-04 MaxDP=1.62D-02 DE= 2.20D-04 OVMax= 2.76D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.52D-04    CP:  1.57D+00  1.04D+00  9.62D-01
 E= -767.770325766826     Delta-E=       -0.000373691442 Rises=F Damp=F
 DIIS: error= 5.20D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -767.770325766826     IErMin= 4 ErrMin= 5.20D-05
 ErrMax= 5.20D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.38D-06 BMatP= 2.00D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.556D-02 0.291D+00 0.140D+00 0.574D+00
 Coeff:     -0.556D-02 0.291D+00 0.140D+00 0.574D+00
 Gap=     0.160 Goal=   None    Shift=    0.000
 RMSDP=1.14D-04 MaxDP=8.95D-03 DE=-3.74D-04 OVMax= 5.80D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.07D-05    CP:  1.57D+00  1.04D+00  9.53D-01  1.15D+00
 E= -767.770330608410     Delta-E=       -0.000004841585 Rises=F Damp=F
 DIIS: error= 2.93D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -767.770330608410     IErMin= 5 ErrMin= 2.93D-05
 ErrMax= 2.93D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.85D-06 BMatP= 7.38D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.208D-02 0.669D-01 0.182D-01 0.378D+00 0.539D+00
 Coeff:     -0.208D-02 0.669D-01 0.182D-01 0.378D+00 0.539D+00
 Gap=     0.160 Goal=   None    Shift=    0.000
 RMSDP=3.62D-05 MaxDP=2.40D-03 DE=-4.84D-06 OVMax= 3.56D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.93D-05    CP:  1.57D+00  1.04D+00  9.53D-01  1.15D+00  1.02D+00
 E= -767.770331932889     Delta-E=       -0.000001324479 Rises=F Damp=F
 DIIS: error= 7.65D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -767.770331932889     IErMin= 6 ErrMin= 7.65D-06
 ErrMax= 7.65D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.65D-07 BMatP= 1.85D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.661D-03 0.116D-01-0.159D-02 0.168D+00 0.318D+00 0.505D+00
 Coeff:     -0.661D-03 0.116D-01-0.159D-02 0.168D+00 0.318D+00 0.505D+00
 Gap=     0.160 Goal=   None    Shift=    0.000
 RMSDP=7.32D-06 MaxDP=3.94D-04 DE=-1.32D-06 OVMax= 9.35D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.09D-06    CP:  1.57D+00  1.04D+00  9.55D-01  1.15D+00  9.65D-01
                    CP:  9.92D-01
 E= -767.770332076256     Delta-E=       -0.000000143367 Rises=F Damp=F
 DIIS: error= 2.46D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -767.770332076256     IErMin= 7 ErrMin= 2.46D-06
 ErrMax= 2.46D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.32D-09 BMatP= 1.65D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.101D-03-0.118D-02-0.238D-02 0.451D-01 0.103D+00 0.248D+00
 Coeff-Com:  0.608D+00
 Coeff:     -0.101D-03-0.118D-02-0.238D-02 0.451D-01 0.103D+00 0.248D+00
 Coeff:      0.608D+00
 Gap=     0.160 Goal=   None    Shift=    0.000
 RMSDP=3.16D-06 MaxDP=2.13D-04 DE=-1.43D-07 OVMax= 4.48D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.90D-06    CP:  1.57D+00  1.04D+00  9.57D-01  1.15D+00  9.66D-01
                    CP:  9.67D-01  9.03D-01
 E= -767.770332082880     Delta-E=       -0.000000006624 Rises=F Damp=F
 DIIS: error= 9.92D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -767.770332082880     IErMin= 8 ErrMin= 9.92D-07
 ErrMax= 9.92D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.00D-09 BMatP= 9.32D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.263D-05-0.167D-02-0.109D-02 0.100D-01 0.283D-01 0.954D-01
 Coeff-Com:  0.372D+00 0.497D+00
 Coeff:     -0.263D-05-0.167D-02-0.109D-02 0.100D-01 0.283D-01 0.954D-01
 Coeff:      0.372D+00 0.497D+00
 Gap=     0.160 Goal=   None    Shift=    0.000
 RMSDP=8.73D-07 MaxDP=4.51D-05 DE=-6.62D-09 OVMax= 2.02D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.67D-07    CP:  1.57D+00  1.04D+00  9.57D-01  1.15D+00  9.70D-01
                    CP:  9.56D-01  9.27D-01  8.45D-01
 E= -767.770332084734     Delta-E=       -0.000000001854 Rises=F Damp=F
 DIIS: error= 2.19D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -767.770332084734     IErMin= 9 ErrMin= 2.19D-07
 ErrMax= 2.19D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-10 BMatP= 2.00D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.644D-05-0.729D-03-0.332D-03 0.137D-02 0.562D-02 0.283D-01
 Coeff-Com:  0.137D+00 0.255D+00 0.573D+00
 Coeff:      0.644D-05-0.729D-03-0.332D-03 0.137D-02 0.562D-02 0.283D-01
 Coeff:      0.137D+00 0.255D+00 0.573D+00
 Gap=     0.160 Goal=   None    Shift=    0.000
 RMSDP=3.23D-07 MaxDP=2.71D-05 DE=-1.85D-09 OVMax= 5.78D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.41D-07    CP:  1.57D+00  1.04D+00  9.57D-01  1.15D+00  9.70D-01
                    CP:  9.58D-01  9.25D-01  8.93D-01  9.56D-01
 E= -767.770332084749     Delta-E=       -0.000000000015 Rises=F Damp=F
 DIIS: error= 1.05D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -767.770332084749     IErMin=10 ErrMin= 1.05D-07
 ErrMax= 1.05D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.44D-11 BMatP= 1.13D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.524D-05-0.253D-03-0.649D-04-0.476D-03-0.180D-03 0.552D-02
 Coeff-Com:  0.382D-01 0.955D-01 0.358D+00 0.504D+00
 Coeff:      0.524D-05-0.253D-03-0.649D-04-0.476D-03-0.180D-03 0.552D-02
 Coeff:      0.382D-01 0.955D-01 0.358D+00 0.504D+00
 Gap=     0.160 Goal=   None    Shift=    0.000
 RMSDP=1.22D-07 MaxDP=7.67D-06 DE=-1.55D-11 OVMax= 2.04D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  7.70D-08    CP:  1.57D+00  1.04D+00  9.57D-01  1.15D+00  9.70D-01
                    CP:  9.58D-01  9.28D-01  8.93D-01  9.95D-01  8.20D-01
 E= -767.770332084844     Delta-E=       -0.000000000094 Rises=F Damp=F
 DIIS: error= 1.85D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -767.770332084844     IErMin=11 ErrMin= 1.85D-08
 ErrMax= 1.85D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.81D-13 BMatP= 2.44D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.211D-05-0.802D-04-0.102D-04-0.295D-03-0.355D-03 0.118D-02
 Coeff-Com:  0.105D-01 0.309D-01 0.132D+00 0.237D+00 0.588D+00
 Coeff:      0.211D-05-0.802D-04-0.102D-04-0.295D-03-0.355D-03 0.118D-02
 Coeff:      0.105D-01 0.309D-01 0.132D+00 0.237D+00 0.588D+00
 Gap=     0.160 Goal=   None    Shift=    0.000
 RMSDP=2.58D-08 MaxDP=1.49D-06 DE=-9.44D-11 OVMax= 4.92D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.65D-08    CP:  1.57D+00  1.04D+00  9.57D-01  1.15D+00  9.70D-01
                    CP:  9.59D-01  9.28D-01  9.01D-01  9.90D-01  8.23D-01
                    CP:  9.69D-01
 E= -767.770332084799     Delta-E=        0.000000000044 Rises=F Damp=F
 DIIS: error= 9.22D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -767.770332084844     IErMin=12 ErrMin= 9.22D-09
 ErrMax= 9.22D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.86D-13 BMatP= 8.81D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.360D-06-0.556D-05 0.605D-05-0.108D-03-0.200D-03-0.264D-03
 Coeff-Com: -0.187D-03 0.290D-02 0.211D-01 0.593D-01 0.341D+00 0.576D+00
 Coeff:      0.360D-06-0.556D-05 0.605D-05-0.108D-03-0.200D-03-0.264D-03
 Coeff:     -0.187D-03 0.290D-02 0.211D-01 0.593D-01 0.341D+00 0.576D+00
 Gap=     0.160 Goal=   None    Shift=    0.000
 RMSDP=9.32D-09 MaxDP=5.61D-07 DE= 4.43D-11 OVMax= 1.96D-07

 SCF Done:  E(RB3LYP) =  -767.770332085     A.U. after   12 cycles
            NFock= 12  Conv=0.93D-08     -V/T= 2.0057
 KE= 7.634356997067D+02 PE=-4.054023069486D+03 EE= 1.390172185955D+03
 Leave Link  502 at Wed Sep 29 11:36:04 2021, MaxMem=  8589934592 cpu:            5027.4 elap:             628.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   514
 NBasis=   517 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    514 NOA=    61 NOB=    61 NVA=   453 NVB=   453

 **** Warning!!: The largest alpha MO coefficient is  0.12270726D+03

 Leave Link  801 at Wed Sep 29 11:36:05 2021, MaxMem=  8589934592 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9624 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    8589934592 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.61D-13 8.33D-09 XBig12= 1.00D+00 6.68D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.61D-13 8.33D-09 XBig12= 4.98D-01 1.68D-01.
     11 vectors produced by pass  2 Test12= 4.61D-13 8.33D-09 XBig12= 1.10D-01 1.21D-01.
     11 vectors produced by pass  3 Test12= 4.61D-13 8.33D-09 XBig12= 2.64D-02 4.51D-02.
     11 vectors produced by pass  4 Test12= 4.61D-13 8.33D-09 XBig12= 1.17D-02 3.31D-02.
     11 vectors produced by pass  5 Test12= 4.61D-13 8.33D-09 XBig12= 9.13D-04 4.21D-03.
     11 vectors produced by pass  6 Test12= 4.61D-13 8.33D-09 XBig12= 4.91D-05 9.58D-04.
     11 vectors produced by pass  7 Test12= 4.61D-13 8.33D-09 XBig12= 1.30D-06 1.27D-04.
     11 vectors produced by pass  8 Test12= 4.61D-13 8.33D-09 XBig12= 3.19D-08 2.11D-05.
     11 vectors produced by pass  9 Test12= 4.61D-13 8.33D-09 XBig12= 7.48D-10 3.61D-06.
      8 vectors produced by pass 10 Test12= 4.61D-13 8.33D-09 XBig12= 1.95D-11 5.33D-07.
      7 vectors produced by pass 11 Test12= 4.61D-13 8.33D-09 XBig12= 4.60D-13 5.47D-08.
      4 vectors produced by pass 12 Test12= 4.61D-13 8.33D-09 XBig12= 9.49D-14 1.70D-08.
      1 vectors produced by pass 13 Test12= 4.61D-13 8.33D-09 XBig12= 9.99D-14 1.73D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 8.53D-14
 Solved reduced A of dimension   130 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.312154D+03
      2 -0.211873D+02  0.187375D+03
      3 -0.832038D+01 -0.486432D+01  0.124834D+03
 Isotropic polarizability for W=    0.088559      208.12 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.459570D+03 -0.122618D+03 -0.940413D+02
      2  -0.196691D+03  0.101232D+03  0.888566D+01
      3  -0.262879D+03  0.213865D+02  0.851556D+02
      4  -0.775823D+02  0.930877D+02 -0.743583D+01
      5  -0.132224D+02 -0.117893D+01 -0.891001D+02
      6  -0.544326D+01  0.195593D+02 -0.247313D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.132287D+02  0.205893D+02  0.319695D+01
      2  -0.886304D+02 -0.310216D+01 -0.271128D+02
      3   0.118681D+03 -0.440501D+02 -0.424496D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.625689D+01  0.106736D+02  0.461178D+02
      2  -0.808189D+02 -0.199257D+01  0.173778D+03
      3   0.450358D+02 -0.289779D+03 -0.426433D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.210934D+01  0.824211D+01 -0.190752D+02
      2   0.824211D+01  0.399372D+01  0.329068D+01
      3  -0.190752D+02  0.329068D+01  0.399718D+01
 OR G Eigenvalues:   -21.2011     6.2817    20.8010  Iso=    -1.9605
 Eigenvectors:
   (1)   0.735257  -0.318660   0.598208
   (2)   0.118481   0.929426   0.349471
   (3)  -0.667352  -0.186075   0.721122
 w=    0.088559 a.u., Optical Rotation Beta=     -1.9605 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =     -431.74 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  133903 ScalPx= 4.02D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.40D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.68D-14 2.78D-09 XBig12= 1.00D+00 4.38D-01.
     30 vectors produced by pass  1 Test12= 7.68D-14 2.78D-09 XBig12= 5.79D-02 9.30D-02.
     30 vectors produced by pass  2 Test12= 7.68D-14 2.78D-09 XBig12= 3.46D-03 1.14D-02.
     30 vectors produced by pass  3 Test12= 7.68D-14 2.78D-09 XBig12= 1.37D-04 1.54D-03.
     30 vectors produced by pass  4 Test12= 7.68D-14 2.78D-09 XBig12= 3.79D-06 3.25D-04.
     30 vectors produced by pass  5 Test12= 7.68D-14 2.78D-09 XBig12= 5.91D-08 3.23D-05.
     30 vectors produced by pass  6 Test12= 7.68D-14 2.78D-09 XBig12= 4.49D-10 1.97D-06.
     30 vectors produced by pass  7 Test12= 7.68D-14 2.78D-09 XBig12= 2.52D-12 1.37D-07.
      8 vectors produced by pass  8 Test12= 7.68D-14 2.78D-09 XBig12= 2.87D-14 1.29D-08.
      3 vectors produced by pass  9 Test12= 7.68D-14 2.78D-09 XBig12= 1.22D-14 8.97D-09.
      3 vectors produced by pass 10 Test12= 7.68D-14 2.78D-09 XBig12= 1.88D-14 9.62D-09.
      3 vectors produced by pass 11 Test12= 7.68D-14 2.78D-09 XBig12= 2.99D-13 3.00D-08.
      3 vectors produced by pass 12 Test12= 7.68D-14 2.78D-09 XBig12= 1.37D-13 2.47D-08.
      3 vectors produced by pass 13 Test12= 7.68D-14 2.78D-09 XBig12= 9.15D-14 1.86D-08.
      2 vectors produced by pass 14 Test12= 7.68D-14 2.78D-09 XBig12= 1.39D-14 5.22D-09.
      1 vectors produced by pass 15 Test12= 7.68D-14 2.78D-09 XBig12= 1.89D-15 3.79D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   266 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.31D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.31D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 7.62D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.312154D+03 -0.211873D+02 -0.832038D+01
      2  -0.211873D+02  0.187375D+03 -0.486432D+01
      3  -0.832038D+01 -0.486432D+01  0.124834D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.132287D+02  0.205893D+02  0.319695D+01
      2  -0.886304D+02 -0.310216D+01 -0.271128D+02
      3   0.118681D+03 -0.440501D+02 -0.424496D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.459570D+03 -0.122618D+03 -0.940413D+02
      2  -0.196691D+03  0.101232D+03  0.888566D+01
      3  -0.262879D+03  0.213865D+02  0.851556D+02
      4  -0.775823D+02  0.930877D+02 -0.743583D+01
      5  -0.132224D+02 -0.117893D+01 -0.891001D+02
      6  -0.544326D+01  0.195593D+02 -0.247313D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.413218D+02 -0.807070D+01 -0.974685D+00 -0.397971D+01  0.364985D+01
      2  -0.807070D+01  0.106900D+02 -0.107467D+00  0.364985D+01 -0.140567D+02
      3  -0.974685D+00 -0.107467D+00  0.432317D+01  0.333932D+00  0.154753D+01
                 6             7             8             9            10 
      1   0.333932D+00 -0.217656D+01  0.108960D+01  0.774140D+01  0.311418D+01
      2   0.154753D+01  0.108960D+01  0.954363D-01 -0.144191D+01  0.107801D+01
      3  -0.655365D-01  0.774140D+01 -0.144191D+01 -0.146237D+01 -0.203546D-01
                11            12            13            14            15 
      1   0.107801D+01 -0.203546D-01 -0.181728D+02  0.366042D+01  0.125260D+01
      2   0.113252D+02 -0.163841D+01  0.366042D+01  0.345096D+01 -0.145611D+01
      3  -0.163841D+01  0.274823D+01  0.125260D+01 -0.145611D+01 -0.189536D+01
                16            17            18            19            20 
      1   0.221260D+01 -0.412974D+00  0.395597D+01 -0.418936D+02  0.135439D+02
      2  -0.412974D+00 -0.216935D+01 -0.292787D+01  0.135439D+02 -0.938193D+01
      3   0.395597D+01 -0.292787D+01 -0.300445D+00  0.125929D+01  0.599920D+00
                21            22            23            24            25 
      1   0.125929D+01  0.225394D+02 -0.628442D+01 -0.588386D+00  0.199376D+01
      2   0.599920D+00 -0.628442D+01  0.791859D+01  0.381024D+00 -0.181125D+00
      3  -0.500899D+00 -0.588386D+00  0.381024D+00  0.273168D+01  0.773894D+00
                26            27            28            29            30 
      1  -0.181125D+00  0.773894D+00  0.427798D+02 -0.123442D+02 -0.114206D+01
      2   0.107922D+01  0.464224D+01 -0.123442D+02  0.352911D+01  0.456751D+00
      3   0.464224D+01 -0.139871D+01 -0.114206D+01  0.456751D+00 -0.270059D-01
                31            32            33            34            35 
      1   0.435416D+02 -0.741767D+01 -0.302134D+01 -0.856310D+01  0.228110D+01
      2  -0.741767D+01  0.809132D+01  0.280193D+00  0.228110D+01 -0.984648D+00
      3  -0.302134D+01  0.280193D+00 -0.286376D+00  0.127409D+01  0.944029D+00
                36            37            38            39            40 
      1   0.127409D+01 -0.463850D+02  0.120574D+02  0.120012D+01 -0.399260D+02
      2   0.944029D+00  0.120574D+02 -0.767110D+01 -0.622987D+00  0.679690D+01
      3  -0.191978D+00  0.120012D+01 -0.622987D+00  0.148803D+00  0.277465D+01
                41            42            43            44            45 
      1   0.679690D+01  0.277465D+01  0.869971D+01 -0.189766D+01 -0.133029D+01
      2  -0.582785D+01 -0.103536D+00 -0.189766D+01  0.122419D+01 -0.865848D+00
      3  -0.103536D+00  0.119533D+00 -0.133029D+01 -0.865848D+00  0.327523D+00
                46            47            48            49            50 
      1  -0.108504D+01 -0.273066D+01  0.812011D+00 -0.402916D+01  0.458701D+01
      2  -0.273066D+01 -0.585646D+01  0.363627D+00  0.458701D+01 -0.306269D+01
      3   0.812011D+00  0.363627D+00 -0.252280D+01 -0.807905D+00 -0.811139D+00
                51            52            53            54            55 
      1  -0.807905D+00  0.893792D+00 -0.612197D+00 -0.360832D+00  0.472054D+01
      2  -0.811139D+00 -0.612197D+00  0.210392D-01 -0.437098D+01  0.170963D+01
      3  -0.145931D+01 -0.360832D+00 -0.437098D+01  0.154895D+01 -0.157594D+01
                56            57            58            59            60 
      1   0.170963D+01 -0.157594D+01  0.260164D+01 -0.455978D+01  0.782922D+00
      2   0.109046D+02  0.995683D-01 -0.455978D+01  0.977374D+00  0.904669D+00
      3   0.995683D-01  0.211774D+01  0.782922D+00  0.904669D+00  0.160945D+01
                61            62            63            64            65 
      1  -0.823957D+00  0.891305D+00  0.885468D+00 -0.340093D+00 -0.170730D+01
      2   0.891305D+00 -0.381240D-01  0.487874D+01 -0.170730D+01 -0.156185D+02
      3   0.885468D+00  0.487874D+01 -0.154928D+01  0.133506D+00  0.127047D+01
                66            67            68            69            70 
      1   0.133506D+00  0.163731D+02 -0.818590D+00 -0.846014D+00 -0.595392D+01
      2   0.127047D+01 -0.818590D+00 -0.718300D+01  0.131573D+01 -0.351102D-01
      3  -0.291923D+01 -0.846014D+00  0.131573D+01  0.152956D+01 -0.603517D+01
                71            72            73            74            75 
      1  -0.351102D-01 -0.603517D+01 -0.624802D+02  0.630473D+01  0.195752D+01
      2   0.321038D+01  0.280288D+01  0.630473D+01 -0.550629D+01  0.321927D+00
      3   0.280288D+01  0.850295D+00  0.195752D+01  0.321927D+00 -0.173615D+01
                76            77            78            79            80 
      1   0.846220D+01 -0.400573D+01 -0.954016D+00  0.248417D+01 -0.102531D+01
      2  -0.400573D+01  0.177453D+02 -0.144744D+01 -0.102531D+01 -0.910632D+00
      3  -0.954016D+00 -0.144744D+01 -0.513120D+00 -0.649823D+01  0.742690D+00
                81            82            83            84            85 
      1  -0.649823D+01  0.517555D+02 -0.127017D+02 -0.145387D+01 -0.281837D+02
      2   0.742690D+00 -0.127017D+02  0.116207D+02 -0.521572D+00  0.368216D+01
      3   0.119984D+01 -0.145387D+01 -0.521572D+00  0.270781D+00  0.581308D+00
                86            87            88            89            90 
      1   0.368216D+01  0.581308D+00 -0.480691D+01  0.109153D+00 -0.580636D+00
      2  -0.766972D+01  0.166052D+00  0.109153D+00 -0.883406D+00 -0.331328D+01
      3   0.166052D+00 -0.198265D+01 -0.580636D+00 -0.331328D+01  0.136802D+01
                91            92            93            94            95 
      1   0.135174D+02 -0.148227D+01 -0.103006D+01  0.786478D+01  0.246091D+01
      2  -0.148227D+01  0.236464D+01  0.165041D+00  0.246091D+01 -0.264513D+01
      3  -0.103006D+01  0.165041D+00  0.240415D+01 -0.797302D+00 -0.371492D+00
                96            97            98            99           100 
      1  -0.797302D+00  0.696489D+01  0.634406D+00  0.861329D+01 -0.115946D+02
      2  -0.371492D+00  0.634406D+00  0.262705D+00  0.291871D+01  0.481997D+01
      3   0.403157D+01  0.861329D+01  0.291871D+01 -0.336181D+00 -0.827925D-03
               101           102           103           104           105 
      1   0.481997D+01 -0.827925D-03 -0.261965D+01  0.388299D+01 -0.350939D+00
      2  -0.520834D+01  0.439789D-02  0.388299D+01  0.659281D+00 -0.506023D+00
      3   0.439789D-02 -0.540327D+00 -0.350939D+00 -0.506023D+00 -0.144582D+01
               106           107           108           109           110 
      1   0.140402D+01 -0.804353D+00 -0.222161D+00  0.179258D+01 -0.512169D+01
      2  -0.804353D+00  0.609374D+00  0.801852D+00 -0.512169D+01  0.239506D+01
      3  -0.222161D+00  0.801852D+00  0.754018D-01  0.242068D+00  0.829583D+00
               111           112           113           114           115 
      1   0.242068D+00 -0.377009D+01 -0.258832D+01  0.922325D+00 -0.374348D+00
      2   0.829583D+00 -0.258832D+01  0.182535D+01  0.117167D+01  0.102722D+01
      3  -0.537463D-01  0.922325D+00  0.117167D+01  0.654257D+01 -0.311734D+01
               116           117           118           119           120 
      1   0.102722D+01 -0.311734D+01  0.611163D+01 -0.331429D+01 -0.272254D+00
      2   0.615562D+00  0.508675D+01 -0.331429D+01  0.284082D+01  0.659472D-02
      3   0.508675D+01 -0.117772D+01 -0.272254D+00  0.659472D-02  0.186417D+00
               121           122           123           124           125 
      1  -0.475156D+01  0.476604D+01 -0.152637D+00 -0.325770D+00 -0.228156D+00
      2   0.476604D+01 -0.566981D+01  0.994941D-01 -0.228156D+00  0.277678D+00
      3  -0.152637D+00  0.994941D-01 -0.452809D+00 -0.498071D+00 -0.179626D-01
               126           127           128           129           130 
      1  -0.498071D+00  0.180400D+01  0.288290D+01 -0.405377D+00  0.349936D+01
      2  -0.179626D-01  0.288290D+01  0.232526D+01 -0.458961D+00  0.393427D+01
      3   0.136124D+00 -0.405377D+00 -0.458961D+00  0.436057D+00 -0.615832D+00
               131           132           133           134           135 
      1   0.393427D+01 -0.615832D+00 -0.545305D+00 -0.671380D+00  0.263713D+00
      2   0.792593D+01 -0.105694D+01 -0.671380D+00 -0.103490D+01  0.161545D+00
      3  -0.105694D+01  0.927348D+00  0.263713D+00  0.161545D+00 -0.150894D+00
               136           137           138           139           140 
      1  -0.487774D+00 -0.167178D+01  0.233752D+00 -0.245114D+00 -0.120970D+01
      2  -0.167178D+01 -0.242111D+01  0.415561D+00 -0.120970D+01 -0.957915D+01
      3   0.233752D+00  0.415561D+00 -0.202682D+00  0.125683D+00  0.109391D+01
               141           142           143           144           145 
      1   0.125683D+00  0.120548D+00  0.343093D+00  0.664075D-01  0.987743D+00
      2   0.109391D+01  0.343093D+00  0.124968D+01 -0.153925D+00  0.182803D+01
      3  -0.853688D+00  0.664075D-01 -0.153925D+00  0.107780D+00 -0.252367D+00
               146           147           148           149           150 
      1   0.182803D+01 -0.252367D+00  0.810519D+00  0.181594D+01 -0.154232D+00
      2   0.284074D+01 -0.444007D+00  0.181594D+01  0.110185D+02 -0.114411D+01
      3  -0.444007D+00  0.214603D+00 -0.154232D+00 -0.114411D+01  0.895390D+00
               151           152           153           154           155 
      1   0.619129D+00 -0.474889D+00  0.194094D+00 -0.568923D+01  0.365554D+01
      2  -0.474889D+00 -0.144976D+01  0.130153D+00  0.365554D+01 -0.367263D+01
      3   0.194094D+00  0.130153D+00 -0.724049D-01  0.280512D+00 -0.568487D-01
               156           157           158           159           160 
      1   0.280512D+00  0.378161D+01 -0.488377D+01  0.174831D+00  0.567863D-01
      2  -0.568487D-01 -0.488377D+01  0.649341D+01 -0.242641D-02  0.343919D+00
      3  -0.341896D+00  0.174831D+00 -0.242641D-02  0.626083D+00  0.425544D+00
               161           162           163           164           165 
      1   0.343919D+00  0.425544D+00 -0.178944D+01 -0.212247D+01  0.360052D+00
      2  -0.333588D+00  0.219497D+00 -0.212247D+01 -0.916818D+00  0.262956D+00
      3   0.219497D+00 -0.233871D+00  0.360052D+00  0.262956D+00 -0.349015D+00
               166           167           168           169           170 
      1  -0.279863D+01 -0.300683D+01  0.491913D+00 -0.203746D+00  0.310516D+00
      2  -0.300683D+01 -0.566785D+01  0.804188D+00  0.310516D+00  0.403448D+00
      3   0.491913D+00  0.804188D+00 -0.862146D+00 -0.401721D+00 -0.261881D+00
               171           172           173           174           175 
      1  -0.401721D+00 -0.164272D+01  0.233780D+01  0.188482D+00  0.470928D+01
      2  -0.261881D+00  0.233780D+01 -0.173284D+01 -0.262639D+00 -0.251514D+01
      3  -0.175747D-01  0.188482D+00 -0.262639D+00 -0.891460D+00 -0.617060D+00
               176           177           178           179           180 
      1  -0.251514D+01 -0.617060D+00 -0.130386D+00 -0.293455D+00 -0.126789D+01
      2   0.507339D+01  0.402458D+00 -0.293455D+00  0.302503D+00  0.544023D+00
      3   0.402458D+00  0.989383D+00 -0.126789D+01  0.544023D+00  0.401081D+00
               181           182           183           184           185 
      1   0.114927D+02  0.160574D+01 -0.201079D+01 -0.251077D+01 -0.198261D+01
      2   0.160574D+01 -0.148012D+01 -0.492849D+00 -0.198261D+01  0.236199D+01
      3  -0.201079D+01 -0.492849D+00 -0.314492D+01  0.120467D+01 -0.311713D+00
               186           187           188           189           190 
      1   0.120467D+01  0.434095D+01  0.597597D+00 -0.489024D+01  0.723089D+01
      2  -0.311713D+00  0.597597D+00  0.269339D+00 -0.344689D+01 -0.862778D+00
      3  -0.548005D+01 -0.489024D+01 -0.344689D+01 -0.708208D+00  0.337428D+01
               191           192           193           194           195 
      1  -0.862778D+00  0.337428D+01 -0.506037D+01 -0.109161D+01 -0.310362D+01
      2  -0.512054D+00 -0.117117D+01 -0.109161D+01 -0.180235D+00 -0.106226D+00
      3  -0.117117D+01  0.137037D+01 -0.310362D+01 -0.106226D+00 -0.598345D+01
               196           197           198           199           200 
      1   0.894091D+01 -0.184535D+01  0.420221D+00  0.150406D+02  0.200547D+01
      2  -0.184535D+01 -0.359502D+00 -0.307620D+01  0.200547D+01  0.895449D+00
      3   0.420221D+00 -0.307620D+01  0.136290D+00 -0.139655D+01 -0.204700D+00
               201           202           203           204           205 
      1  -0.139655D+01  0.590974D+01  0.172485D+01 -0.540664D+00 -0.178745D+01
      2  -0.204700D+00  0.172485D+01  0.134032D+01 -0.295998D+00 -0.236053D+00
      3   0.115832D+01 -0.540664D+00 -0.295998D+00  0.334641D+00  0.181549D+01
               206           207           208           209           210 
      1  -0.236053D+00  0.181549D+01 -0.994643D+00  0.168401D+00 -0.706340D+00
      2  -0.264050D+00 -0.181763D+00  0.168401D+00 -0.667215D+00 -0.153434D+00
      3  -0.181763D+00 -0.414734D+00 -0.706340D+00 -0.153434D+00 -0.631119D+00
               211           212           213           214           215 
      1  -0.197378D+01  0.235662D+01  0.163192D+01 -0.383229D+01  0.183686D+01
      2   0.235662D+01 -0.377168D+01 -0.286008D+01  0.183686D+01 -0.280625D+01
      3   0.163192D+01 -0.286008D+01 -0.327679D+01  0.301136D+01 -0.344475D+01
               216           217           218           219           220 
      1   0.301136D+01  0.390674D+00 -0.862327D-01  0.132688D+01 -0.170545D+01
      2  -0.344475D+01 -0.862327D-01 -0.226572D+00 -0.460440D+00  0.210749D+01
      3  -0.466919D+01  0.132688D+01 -0.460440D+00  0.647075D-01 -0.160743D+01
               221           222           223           224           225 
      1   0.210749D+01 -0.160743D+01  0.562875D+01 -0.230559D+01  0.369000D+01
      2  -0.236582D+01  0.184959D+01 -0.230559D+01  0.221425D+01 -0.301428D+01
      3   0.184959D+01 -0.261676D+01  0.369000D+01 -0.301428D+01  0.546403D+01
               226           227           228           229           230 
      1   0.745968D-01  0.439569D+00  0.103647D+01  0.165294D+01  0.305688D+00
      2   0.439569D+00  0.560109D+00  0.430148D+00  0.305688D+00  0.106600D+01
      3   0.103647D+01  0.430148D+00  0.256866D+01 -0.376121D+00  0.163683D+01
               231           232           233           234           235 
      1  -0.376121D+00  0.136567D+01  0.184089D+00  0.181425D+00 -0.198188D-02
      2   0.163683D+01  0.184089D+00  0.125547D+01  0.174979D+01 -0.642527D+00
      3   0.384285D+01  0.181425D+00  0.174979D+01  0.805641D+01 -0.106939D+00
               236           237           238           239           240 
      1  -0.642527D+00 -0.106939D+00 -0.231927D+01  0.171998D-01  0.447200D+00
      2   0.112661D+01 -0.320194D+00  0.171998D-01 -0.516417D+01  0.112016D+01
      3  -0.320194D+00  0.105657D+01  0.447200D+00  0.112016D+01 -0.136272D+01
               241           242           243           244           245 
      1  -0.651224D+00 -0.240308D+00  0.504338D+00 -0.171170D+02 -0.209047D+01
      2  -0.240308D+00  0.355319D+00 -0.386454D+00 -0.209047D+01 -0.983450D+00
      3   0.504338D+00 -0.386454D+00  0.260155D+00  0.447182D+01  0.637691D+00
               246           247           248           249           250 
      1   0.447182D+01 -0.189827D+01 -0.142316D+01  0.284425D+00  0.100890D+01
      2   0.637691D+00 -0.142316D+01 -0.545404D+00  0.510767D+00  0.158750D+00
      3  -0.249865D+01  0.284425D+00  0.510767D+00  0.253550D+00 -0.156850D+01
               251           252           253           254           255 
      1   0.158750D+00 -0.156850D+01 -0.119343D+02  0.276986D+01 -0.493459D+01
      2  -0.567461D-01  0.467512D-01  0.276986D+01 -0.122724D+01  0.913327D+00
      3   0.467512D-01  0.103421D+01 -0.493459D+01  0.913327D+00 -0.290028D+01
               256           257           258           259           260 
      1   0.112281D+02 -0.185022D+01  0.328684D+01 -0.154722D+02  0.126581D+01
      2  -0.185022D+01  0.386713D+01 -0.225915D+01  0.126581D+01 -0.170551D+01
      3   0.328684D+01 -0.225915D+01  0.405329D+01 -0.669149D+01  0.279519D+01
               261           262           263           264           265 
      1  -0.669149D+01  0.268316D+01 -0.481823D+00  0.100864D+01 -0.805090D+01
      2   0.279519D+01 -0.481823D+00  0.124236D+01  0.135186D+01 -0.503494D+00
      3  -0.745310D+01  0.100864D+01  0.135186D+01  0.185964D+01  0.134433D+01
               266           267           268           269           270 
      1  -0.503494D+00  0.134433D+01  0.186615D+01  0.276105D+01  0.309747D+01
      2  -0.327384D+01  0.122643D+01  0.276105D+01  0.328556D+01  0.218590D+01
      3   0.122643D+01  0.204169D+01  0.309747D+01  0.218590D+01  0.502916D+01
               271           272           273           274           275 
      1  -0.138215D+01 -0.177602D+01 -0.160241D+01 -0.978966D+00 -0.160729D+01
      2  -0.177602D+01 -0.157811D+01 -0.121374D+01 -0.160729D+01 -0.315182D+01
      3  -0.160241D+01 -0.121374D+01 -0.166803D+01 -0.110605D+01 -0.177832D+01
               276           277           278           279 
      1  -0.110605D+01 -0.295361D+01 -0.257056D+01 -0.345161D+01
      2  -0.177832D+01 -0.257056D+01 -0.373470D+01 -0.374674D+01
      3  -0.199199D+01 -0.345161D+01 -0.374674D+01 -0.585864D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.553897D+00  0.548097D+01 -0.274903D+01  0.531875D+01 -0.142608D+01
      2  -0.133034D+02  0.514811D+01  0.218211D+01  0.831507D+01 -0.459840D+01
      3   0.971977D+01  0.173944D+02 -0.164898D+01  0.474424D+02 -0.538355D+01
                 6             7             8             9            10 
      1   0.389155D+01 -0.543082D+00  0.160279D+02 -0.178519D+01 -0.532828D+00
      2  -0.168696D+00  0.429055D+01  0.273611D+01 -0.281655D+01 -0.136577D+01
      3  -0.330606D+01 -0.535646D+01 -0.275418D+01  0.460468D+01 -0.269974D+02
                11            12            13            14            15 
      1   0.408140D+01  0.621293D+01 -0.666496D+00 -0.263223D+00 -0.224371D+01
      2   0.174888D+01  0.848896D+01  0.218673D+01 -0.247633D+01 -0.524661D+01
      3   0.366775D+01 -0.154073D+00 -0.268155D+02 -0.111492D+02  0.371222D+01
                16            17            18            19            20 
      1   0.125797D+02  0.503945D+01 -0.300211D+01 -0.240259D+01 -0.454711D+01
      2  -0.581992D+01 -0.128019D+02  0.214806D+00  0.127065D+02 -0.690398D+01
      3   0.469415D+01  0.152894D+01  0.543166D-01 -0.368341D+02 -0.296665D+02
                21            22            23            24            25 
      1   0.998816D+00 -0.136262D+01  0.270174D+01 -0.376885D+01 -0.820796D+01
      2   0.338400D+01 -0.857003D+01  0.656061D+01  0.553770D+01 -0.169584D+02
      3   0.456836D+01  0.847850D+01  0.106441D+02 -0.293218D+01  0.444507D+01
                26            27            28            29            30 
      1   0.305204D+01  0.101195D+01  0.881496D+00  0.510246D+01 -0.984856D+00
      2   0.196465D+02 -0.255269D+01 -0.187681D+02  0.943227D+01 -0.527948D+01
      3  -0.126038D+01 -0.977466D+01  0.329770D+02  0.401293D+02 -0.599529D+01
                31            32            33            34            35 
      1   0.557305D+01  0.462373D-01  0.135750D+01 -0.635935D+01  0.643090D+01
      2  -0.613823D+01 -0.251064D+01  0.682448D+00 -0.211150D+02  0.222677D+01
      3   0.775029D+02 -0.320920D+02 -0.276817D+01 -0.861910D+01 -0.199278D+01
                36            37            38            39            40 
      1   0.123543D+00 -0.167756D+01  0.349176D+01 -0.114038D+01  0.330140D+01
      2   0.199106D+01  0.159381D+02  0.281546D+01 -0.909144D-01  0.113862D+02
      3   0.493239D+00 -0.293411D+02  0.493485D+02 -0.527917D+01  0.243831D+02
                41            42            43            44            45 
      1  -0.398752D+01 -0.153132D+00 -0.429843D+01  0.768192D+01 -0.280700D+00
      2  -0.510570D+01 -0.293199D+00 -0.240889D+02  0.296674D+01  0.136784D+01
      3  -0.317893D+02  0.154480D+01  0.367671D+01 -0.258388D+01  0.100560D+01
                46            47            48            49            50 
      1   0.273463D+01 -0.560539D+01 -0.535866D+01 -0.133460D+01  0.238950D+01
      2  -0.230387D+01 -0.505152D+01 -0.659999D+01 -0.417922D+00  0.229184D+01
      3   0.449489D+02 -0.353954D+02  0.353631D+01 -0.113733D+02  0.370306D+02
                51            52            53            54            55 
      1  -0.304507D+01 -0.684345D+01 -0.297526D+01  0.212511D+01  0.197281D+01
      2  -0.197410D+01 -0.244007D+02 -0.343977D+01  0.457555D+01  0.716811D+01
      3  -0.211891D+01  0.148870D+01  0.165520D+01  0.112689D+02  0.364492D+02
                56            57            58            59            60 
      1  -0.171462D+01 -0.596570D+01 -0.352216D+01  0.197069D+01 -0.415727D+01
      2  -0.619091D+01  0.577006D+00 -0.499727D+01  0.495374D+01 -0.279358D+00
      3  -0.341221D+02  0.187231D+01 -0.928287D+01  0.282381D+02 -0.156202D+01
                61            62            63            64            65 
      1  -0.803646D+01 -0.588798D+01  0.429956D+01  0.358179D-01 -0.196950D+01
      2  -0.179774D+02 -0.465604D+00  0.186027D+01 -0.635492D+01  0.109830D+01
      3  -0.322027D+00  0.173779D+01  0.483708D+01 -0.186527D+02  0.505954D+01
                66            67            68            69            70 
      1   0.764869D+01  0.405864D+01 -0.199617D+01 -0.678470D+00  0.150537D+02
      2   0.362664D+01 -0.102133D+02 -0.158030D+01 -0.305429D+01 -0.139154D+01
      3  -0.217796D+01  0.118823D+02 -0.921102D+00 -0.191490D+01 -0.495389D+01
                71            72            73            74            75 
      1   0.597112D+01 -0.335770D+01 -0.867707D+01  0.208760D+01 -0.360512D+00
      2  -0.962009D+01  0.249974D+01  0.237211D+02 -0.157061D+01  0.322784D+00
      3  -0.561120D+00 -0.696904D+01 -0.591163D+02  0.163714D+02  0.203373D+00
                76            77            78            79            80 
      1   0.148233D+01  0.544197D+01  0.117177D+00  0.309984D+01  0.154745D+02
      2   0.262408D+00  0.134455D+01  0.210103D+01 -0.129327D+02  0.241479D+01
      3   0.428923D+02 -0.123903D+02  0.139436D+01  0.197066D-01 -0.216235D+01
                81            82            83            84            85 
      1  -0.287837D+01  0.233520D+01 -0.120051D+01  0.117527D+01 -0.203675D+01
      2   0.181223D+01 -0.243713D+02  0.649885D+00 -0.407005D+00  0.124245D+02
      3  -0.472320D+01  0.324304D+02 -0.458709D+02  0.512697D+01 -0.184737D+02
                86            87            88            89            90 
      1  -0.104154D+01 -0.124584D+01 -0.534633D+01  0.402875D+01 -0.470877D+00
      2  -0.797733D-01  0.269351D+01 -0.189776D+02  0.101414D+02 -0.566421D+00
      3   0.604318D+01 -0.793672D+00 -0.167288D+01  0.267721D+01 -0.199999D+01
                91            92            93            94            95 
      1   0.480694D+01  0.229351D+01  0.794881D+00  0.562799D+01 -0.172870D+01
      2  -0.880876D+01  0.878268D-01 -0.304498D+01 -0.686512D+01 -0.117191D+01
      3   0.197540D+02  0.222890D+01  0.142564D+01  0.360213D+02 -0.164021D+02
                96            97            98            99           100 
      1  -0.562366D+01  0.397195D+01  0.176882D+01  0.192858D+01  0.125300D+01
      2  -0.118939D+02 -0.455377D+02 -0.104351D+02 -0.455031D+01  0.574202D+01
      3  -0.160542D+01  0.120072D+02 -0.613446D+00  0.197079D+02 -0.261306D+01
               101           102           103           104           105 
      1  -0.551753D+01  0.329140D+01 -0.642801D-01 -0.124407D+01 -0.555861D+01
      2  -0.403436D+01  0.139780D+02 -0.144169D+01 -0.215303D+01 -0.836760D+01
      3  -0.441765D+02  0.224431D+01 -0.611818D+01 -0.592474D+01  0.195710D+01
               106           107           108           109           110 
      1   0.162466D+01 -0.198791D+01  0.189552D+00  0.123227D+01  0.210609D+01
      2  -0.848543D+01  0.301747D+01 -0.297833D+00  0.294904D+00  0.526976D+01
      3   0.862439D+00  0.471406D+01 -0.381545D+01  0.383691D+02  0.609990D+01
               111           112           113           114           115 
      1  -0.114431D+01  0.149438D+01 -0.968882D+00  0.709193D+01 -0.143065D+02
      2  -0.183638D+01  0.631925D+01  0.541528D+01  0.417993D+02 -0.217655D+02
      3  -0.749638D+01  0.266271D+02 -0.308488D+02 -0.763715D+01 -0.655670D+01
               116           117           118           119           120 
      1   0.949921D+01 -0.253371D+01 -0.135478D+01  0.497935D+00  0.162554D+01
      2   0.326346D+02 -0.797291D+01 -0.221186D+01  0.640515D+00  0.144058D+01
      3  -0.526504D+01 -0.324602D+02 -0.488154D+01 -0.434223D+01  0.717114D+00
               121           122           123           124           125 
      1   0.418723D-01 -0.191638D+00 -0.285585D+01 -0.263430D+01  0.122876D+01
      2   0.196757D+00 -0.251749D+00 -0.270698D+01 -0.274836D+01  0.256365D+00
      3  -0.518555D+01  0.131149D+02 -0.214060D+00  0.169045D+01 -0.915600D+00
               126           127           128           129           130 
      1   0.376741D+00  0.146810D+00  0.194034D+00 -0.145127D+01  0.305306D+00
      2   0.656969D+00 -0.954999D+00 -0.109649D+01  0.192216D+01 -0.122684D+01
      3   0.103641D+01 -0.440657D+01 -0.413705D+01  0.802220D+00 -0.292187D+01
               131           132           133           134           135 
      1  -0.179871D+00 -0.377350D+01  0.152689D+00  0.167655D+01  0.387603D+00
      2  -0.285484D+01  0.354615D+01 -0.195255D+01 -0.188297D+00 -0.266198D+00
      3  -0.192283D+02  0.221503D+01  0.119039D+01  0.225185D+01  0.363310D+00
               136           137           138           139           140 
      1   0.316603D+00  0.149372D+00 -0.139666D+01 -0.544406D-01 -0.480910D+00
      2   0.861677D+00  0.984238D+00  0.293329D+00  0.505616D+00  0.190210D+01
      3   0.823822D+01  0.590725D+01 -0.135449D+01  0.594775D+01  0.195484D+02
               141           142           143           144           145 
      1  -0.422072D+01  0.407460D+00  0.308047D+01  0.115694D+00  0.105590D+01
      2  -0.311500D+00 -0.108314D+00  0.871430D-01 -0.223242D+00  0.463915D+00
      3  -0.231335D+01 -0.159473D+01 -0.285175D+01 -0.417355D+00  0.568967D+01
               146           147           148           149           150 
      1   0.114943D+01 -0.168743D+01  0.794565D+00  0.294881D+01 -0.521912D+01
      2   0.479502D-01  0.920446D+00  0.183934D+00 -0.149871D+00  0.121996D+01
      3   0.308995D+01 -0.900289D+00  0.535959D+01  0.422191D+01 -0.649226D+00
               151           152           153           154           155 
      1   0.124688D+01  0.232667D+01  0.223286D+00  0.146007D+00 -0.504595D+00
      2  -0.163871D+01  0.119092D+01 -0.670475D+00 -0.208170D+00 -0.207420D+00
      3  -0.306143D+00 -0.128470D+01 -0.667286D+00 -0.103230D+02  0.143010D+01
               156           157           158           159           160 
      1   0.243616D+01 -0.182390D+01  0.168071D+01 -0.338447D+01 -0.276589D+01
      2   0.185381D+01 -0.753329D+00  0.497573D+00 -0.265276D+01 -0.229388D+01
      3   0.514202D+00  0.330048D+01  0.619686D+00  0.284731D+00  0.143346D+01
               161           162           163           164           165 
      1   0.980534D+00  0.736197D+00 -0.703145D+00  0.542902D-01 -0.138147D+01
      2   0.713068D-01  0.417047D+00  0.326798D+00  0.501267D+00  0.276184D+00
      3   0.273855D+00  0.102916D+01  0.137310D+01  0.973714D+00 -0.104585D+00
               166           167           168           169           170 
      1  -0.706283D+00 -0.204400D+01 -0.328071D+01 -0.149355D+01  0.203275D+01
      2   0.947800D+00 -0.702952D-01  0.157334D+01 -0.121237D+01 -0.864945D+00
      3   0.466183D+01 -0.463388D+01  0.298970D+00 -0.157817D+01  0.174149D+00
               171           172           173           174           175 
      1   0.138589D-01  0.103454D+01 -0.768838D+00  0.931144D+00 -0.190742D+00
      2   0.771014D+00 -0.173004D+00 -0.371177D+00  0.389842D+01  0.295874D+00
      3   0.540368D+00  0.898766D+01 -0.718483D+01 -0.101220D+01 -0.286985D+01
               176           177           178           179           180 
      1   0.293741D+01 -0.237999D+01  0.832500D-01  0.157623D+01  0.339114D+00
      2   0.478640D+00 -0.368477D+01  0.251701D+01 -0.119430D+01 -0.776344D+00
      3   0.187803D+02  0.414460D+00 -0.187292D+01  0.122232D+01  0.899984D+00
               181           182           183           184           185 
      1   0.296283D+01 -0.593960D+01 -0.209961D+01 -0.350875D+01  0.732030D+01
      2  -0.147715D+02 -0.225142D+01  0.188717D+02 -0.536878D+01  0.576655D+01
      3  -0.155520D+01 -0.130827D+02  0.202959D+01 -0.134738D+02  0.149599D+02
               186           187           188           189           190 
      1  -0.518445D+01  0.143728D+01 -0.316325D+00 -0.100770D+02 -0.231034D+00
      2   0.185435D+02  0.157201D+02  0.117592D+02  0.103206D+02  0.124842D+02
      3   0.190740D+01  0.917735D+01  0.980252D-01 -0.143789D+02 -0.926254D+01
               191           192           193           194           195 
      1  -0.798200D+01 -0.381191D+01 -0.833243D+01  0.175969D+01 -0.574591D+00
      2   0.617499D+01  0.473833D+01  0.251422D+02  0.176823D+01  0.222905D+02
      3  -0.728203D+01 -0.721031D+01 -0.807286D+01 -0.165408D+00  0.195428D+01
               196           197           198           199           200 
      1   0.333809D+01 -0.147997D+01  0.891979D+00 -0.162393D+01 -0.877006D+00
      2  -0.957062D+01  0.104529D+02 -0.124163D+02 -0.436634D+01 -0.853107D+00
      3  -0.337931D+01  0.173686D+02 -0.138128D+02 -0.226888D+02 -0.110844D+02
               201           202           203           204           205 
      1   0.295001D+00 -0.832773D+00 -0.683494D+00 -0.703033D+00  0.176683D+01
      2   0.932962D+01 -0.188104D+01 -0.124702D+01  0.239696D+01  0.862387D+01
      3   0.245327D+01 -0.131864D+02 -0.919804D+01  0.212895D+01  0.273033D+01
               206           207           208           209           210 
      1   0.206326D+00 -0.608821D-01  0.707771D+00 -0.222350D-02 -0.131928D+01
      2  -0.104159D+01 -0.217599D+01 -0.565788D+01 -0.128572D+01 -0.298249D+01
      3   0.224453D+01  0.510627D+00  0.153952D+01  0.293293D+01  0.187580D+01
               211           212           213           214           215 
      1   0.831807D+00  0.102522D+00 -0.383023D+01  0.287577D+01  0.220658D+00
      2   0.622508D+01 -0.149644D+02 -0.189727D+02  0.123425D+02 -0.197876D+02
      3  -0.116321D+02  0.280485D+02  0.166884D+02 -0.775686D+01  0.191771D+02
               216           217           218           219           220 
      1  -0.470449D+01  0.274332D+00 -0.228956D+00 -0.960055D-01 -0.210301D+01
      2  -0.254608D+02  0.913645D+01 -0.285178D+01  0.116721D+01 -0.841724D+01
      3   0.207613D+02  0.197169D+01 -0.455833D+00  0.197334D+01 -0.109214D+02
               221           222           223           224           225 
      1   0.225571D+01 -0.428240D+01  0.534944D+01 -0.119645D+01  0.759188D+01
      2   0.109038D+02 -0.162863D+02  0.176159D+02 -0.187849D+02  0.325833D+02
      3   0.190649D+02 -0.110613D+02  0.100078D+02 -0.161408D+02  0.184508D+02
               226           227           228           229           230 
      1   0.131255D+01  0.274005D+01  0.124232D+01  0.169347D+01  0.375068D+01
      2  -0.594155D+01 -0.234207D+01 -0.102269D+02 -0.240646D+01 -0.654086D+01
      3   0.174029D+01  0.212916D+01  0.412523D-01  0.316770D+01  0.326402D+01
               231           232           233           234           235 
      1   0.317156D+01  0.725248D+00  0.612948D+01  0.699739D+01 -0.288713D+01
      2  -0.131343D+02 -0.563987D+01 -0.739048D+01 -0.292657D+02 -0.140478D+01
      3   0.428546D+01  0.469403D-01  0.373746D+01  0.415278D+01 -0.701697D+01
               236           237           238           239           240 
      1   0.303555D+01  0.118762D+01  0.142242D+01 -0.117303D+02 -0.150321D+01
      2   0.267554D+01 -0.283813D+01  0.258029D+01 -0.592157D+01  0.381651D+01
      3   0.594045D+01 -0.754154D+00  0.475954D+01 -0.214059D+02  0.370868D+01
               241           242           243           244           245 
      1   0.382505D+00  0.927625D+00 -0.138508D+01 -0.201290D+01 -0.287953D+01
      2  -0.157132D+01  0.127474D+01 -0.182265D+01  0.121067D+02  0.378710D+00
      3   0.673258D+00  0.660731D+00 -0.231650D+01 -0.299790D+01 -0.745365D+01
               246           247           248           249           250 
      1  -0.291992D+00 -0.238121D+01 -0.168321D+01  0.450235D-01 -0.589018D+00
      2   0.632911D+01  0.162125D+01 -0.140311D+00 -0.105354D+01  0.270814D+01
      3   0.196188D+01 -0.376533D+01 -0.349108D+01  0.156739D+01 -0.160657D+01
               251           252           253           254           255 
      1   0.923990D+00  0.810315D+00 -0.504202D+01  0.556374D+01  0.258390D+01
      2  -0.529889D+00 -0.178141D+01  0.934854D+01 -0.253520D+01  0.114523D+02
      3   0.138362D+01  0.706273D+00  0.681476D+01 -0.969170D+01  0.390641D+01
               256           257           258           259           260 
      1   0.538996D+01 -0.601252D+01 -0.142170D+01 -0.277301D+01  0.978193D+01
      2  -0.200905D+02  0.705703D+01 -0.159662D+02  0.258947D+02 -0.986481D+01
      3   0.236250D+01  0.184092D+02 -0.848231D+01 -0.984435D+01 -0.177134D+02
               261           262           263           264           265 
      1  -0.791972D+00  0.469364D+01  0.111521D+01  0.225859D+01 -0.321994D+01
      2   0.337029D+02 -0.732868D+01 -0.644386D+01 -0.455542D+01 -0.241255D+01
      3   0.855228D+01  0.575444D+00  0.278100D+01  0.459300D+01 -0.132122D+01
               266           267           268           269           270 
      1   0.338977D+01 -0.613767D+01  0.117292D+01  0.137364D+01  0.683780D+01
      2  -0.318451D+01 -0.680090D+01 -0.933832D+01 -0.702268D+01 -0.163449D+02
      3  -0.172872D+02  0.468217D+01  0.872344D+01  0.897062D+01  0.550322D+01
               271           272           273           274           275 
      1  -0.204271D+00  0.593996D+00 -0.144317D+01 -0.103327D+01 -0.602173D+00
      2   0.383346D+01  0.390449D+01  0.522597D+01  0.260732D+01  0.606161D+01
      3  -0.429925D+01 -0.522470D+01 -0.332835D+01 -0.329928D+01 -0.102700D+02
               276           277           278           279 
      1  -0.286545D+01 -0.166322D+01  0.899430D-01 -0.610116D+01
      2   0.664679D+01  0.973616D+01  0.131482D+02  0.213431D+02
      3  -0.554145D+01 -0.744727D+01 -0.137766D+02 -0.131429D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.120073D+03 -0.410929D+02 -0.298312D+01  0.121064D+02 -0.228443D+02
      2  -0.665579D+02  0.272102D+02  0.756288D-01 -0.132517D+02  0.268650D+02
      3  -0.535147D+02  0.138826D+02  0.290749D+01  0.114532D+01 -0.402065D+01
      4  -0.215859D+02  0.331062D+02 -0.138516D+01 -0.234206D+02 -0.621031D+02
      5   0.208580D+01 -0.697582D+00  0.670440D+01  0.860807D+01  0.412591D+01
      6  -0.503172D+00  0.153663D+01  0.493189D+01  0.532039D+01 -0.380243D+01
                 6             7             8             9            10 
      1   0.350813D+01 -0.116273D+01  0.769804D+01  0.283579D+02 -0.184098D+01
      2  -0.514836D+01  0.280348D+01 -0.667520D+01 -0.255050D+02 -0.696433D+00
      3   0.164023D+01 -0.164076D+01 -0.102284D+01 -0.285291D+01  0.253742D+01
      4   0.844975D+01  0.103737D+02  0.192652D+01 -0.423232D+01  0.301997D+02
      5  -0.961955D+00  0.573644D+02 -0.100952D+02 -0.478609D+01  0.525216D+01
      6  -0.603614D+01 -0.772639D+00  0.461689D+01  0.195077D+01 -0.573359D+01
                11            12            13            14            15 
      1   0.606423D+02 -0.404564D+01 -0.862923D+02  0.316536D+02  0.234052D+01
      2  -0.406744D+02  0.217562D+00  0.577298D+02 -0.264371D+02 -0.132082D+01
      3  -0.199679D+02  0.382808D+01  0.285625D+02 -0.521653D+01 -0.101970D+01
      4   0.422952D+02 -0.851143D+01  0.339699D+02  0.260400D+02 -0.854049D+01
      5  -0.956549D+01  0.184608D+02  0.422033D+01 -0.621501D+01 -0.124032D+02
      6   0.323212D+01 -0.130052D+02 -0.608819D+01  0.292593D+01  0.619896D+01
                16            17            18            19            20 
      1   0.136214D+02 -0.124954D+02  0.350610D+00 -0.112003D+03  0.230807D+02
      2  -0.118151D+02  0.967280D+01 -0.682456D+01  0.511956D+02 -0.127502D+02
      3  -0.180628D+01  0.282255D+01  0.647396D+01  0.608070D+02 -0.103305D+02
      4  -0.718640D+01 -0.957205D+01 -0.164726D+02  0.318424D+02 -0.353805D+02
      5   0.271146D+02 -0.184424D+02  0.261833D+01  0.830379D+01  0.569359D+01
      6  -0.167422D+02  0.113893D+02  0.306302D+01  0.515502D+01  0.137926D+01
                21            22            23            24            25 
      1   0.561074D+01  0.922835D+02 -0.163428D+02 -0.623252D+01  0.199601D+01
      2  -0.247320D+01 -0.593752D+02 -0.366426D+01  0.610153D+01  0.148809D+01
      3  -0.313754D+01 -0.329082D+02  0.200071D+02  0.130988D+00 -0.348410D+01
      4   0.508135D+01 -0.161204D+02  0.260802D+02  0.308233D+01  0.267543D+01
      5   0.399102D+01 -0.323233D+01  0.438173D+01  0.127866D+02  0.729115D+01
      6  -0.217950D-02  0.229513D+01  0.601958D+01  0.634327D+01  0.505047D+01
                26            27            28            29            30 
      1   0.212966D+01 -0.163197D+02  0.994773D+02 -0.167693D+02 -0.851731D+01
      2   0.337267D+01  0.398976D-01 -0.441652D+02  0.109767D+02  0.275496D+01
      3  -0.550233D+01  0.162798D+02 -0.553122D+02  0.579254D+01  0.576235D+01
      4   0.852579D+01  0.270849D+02 -0.338712D+02  0.318911D+01  0.147787D+01
      5   0.279674D+02 -0.461646D+01 -0.732131D+01 -0.561088D+00 -0.957734D+01
      6   0.155844D+02 -0.197763D+01 -0.308901D+01  0.140476D+01  0.102897D+01
                31            32            33            34            35 
      1   0.874127D+02 -0.294666D+02 -0.566599D+01 -0.198055D+02  0.391600D+01
      2  -0.392109D+02  0.266442D+02  0.858740D+00  0.898632D+01 -0.334766D+01
      3  -0.482018D+02  0.282243D+01  0.480725D+01  0.108192D+02 -0.568341D+00
      4  -0.160734D+02  0.143054D+02 -0.875660D+00  0.469061D+01 -0.190219D+00
      5   0.342220D+01 -0.336602D+01 -0.268447D-01 -0.596584D+00  0.320948D+01
      6  -0.340578D+01  0.209626D+00 -0.285005D+01  0.458018D+01  0.478003D+01
                36            37            38            39            40 
      1  -0.771666D+01 -0.903760D+02  0.478090D+02  0.884168D+00 -0.878920D+02
      2  -0.137809D+01  0.452590D+02 -0.283719D+02 -0.172076D+01  0.478882D+02
      3   0.909475D+01  0.451171D+02 -0.194371D+02  0.836591D+00  0.400039D+02
      4   0.308774D+01  0.577005D+02 -0.611724D+01 -0.238704D+01 -0.615521D+01
      5   0.284966D+01  0.257532D+01 -0.710135D+00  0.125574D+01 -0.116679D+01
      6   0.986703D+00 -0.197436D+00 -0.102013D+01  0.167662D+01  0.379523D+01
                41            42            43            44            45 
      1   0.161948D+01  0.659638D+01  0.133263D+02 -0.639360D+01 -0.120503D+02
      2   0.181930D+01 -0.481791D+01 -0.625099D+01  0.358919D+01 -0.332304D+00
      3  -0.343879D+01 -0.177848D+01 -0.707526D+01  0.280441D+01  0.123826D+02
      4  -0.320606D+01  0.119620D+01 -0.530349D+01  0.987781D+00  0.103407D+01
      5   0.240833D+01  0.931414D-01 -0.145552D+01 -0.121486D+01  0.114381D+01
      6  -0.274262D+01 -0.400703D+00  0.222542D+01  0.343009D+01 -0.225236D+00
                46            47            48            49            50 
      1   0.778275D+01 -0.548982D+02  0.160670D+01  0.203322D+01  0.227761D+02
      2  -0.551809D+01  0.342476D+02  0.681018D+00 -0.774374D+01 -0.224895D+02
      3  -0.226466D+01  0.206506D+02 -0.228772D+01  0.571053D+01 -0.286671D+00
      4  -0.393494D+02 -0.336210D+02  0.523403D+01  0.351235D+02 -0.188943D+02
      5  -0.438991D+01  0.581636D+01 -0.147844D+02 -0.142814D+01  0.213670D+00
      6   0.485223D+01  0.211201D+01  0.105400D+02  0.783168D+00  0.614493D+01
                51            52            53            54            55 
      1  -0.513495D+01 -0.349090D+01 -0.315927D+00 -0.228809D+02  0.132056D+02
      2   0.571408D+01  0.303150D+01  0.555853D+01  0.733865D+01 -0.122133D+02
      3  -0.579133D+00  0.459400D+00 -0.524260D+01  0.155423D+02 -0.992338D+00
      4  -0.110840D+01 -0.128497D+01  0.490844D+01 -0.126496D+02  0.148004D+02
      5  -0.183227D+01  0.101455D+00 -0.142927D+02  0.801641D+01  0.769272D+01
      6   0.710459D+01 -0.654240D+00  0.209940D+02 -0.487828D+01  0.429610D+00
                56            57            58            59            60 
      1  -0.525803D+02 -0.891445D+00  0.253304D+02 -0.601203D+01 -0.440091D+01
      2   0.448461D+02  0.863329D+00 -0.224078D+02 -0.716310D+01  0.559003D+01
      3   0.773419D+01  0.281159D-01 -0.292261D+01  0.131751D+02 -0.118912D+01
      4  -0.625798D+01 -0.955673D-01 -0.343918D+01 -0.129489D+02  0.308980D+01
      5   0.290990D+01 -0.149676D+01 -0.251649D+01  0.290174D+01  0.184360D+01
      6   0.776099D+01  0.122780D+02  0.153730D+01  0.857980D+01  0.978463D+01
                61            62            63            64            65 
      1  -0.669404D+01  0.132358D+01 -0.263973D+02 -0.911189D+01  0.778909D+02
      2   0.588707D+01  0.291812D+01  0.154658D+02  0.444978D+01 -0.652931D+02
      3   0.806966D+00 -0.424171D+01  0.109315D+02  0.466211D+01 -0.125978D+02
      4   0.382754D+00  0.532048D+01  0.595976D+01  0.619117D+00 -0.189007D+02
      5   0.507055D+01  0.285957D+00  0.245864D+01 -0.465356D+00 -0.470484D+01
      6   0.375977D+01  0.277251D+02 -0.428758D+01 -0.266359D+01 -0.158288D+01
                66            67            68            69            70 
      1  -0.476949D+01 -0.250407D+02  0.339766D+02 -0.677925D+01  0.120130D+02
      2   0.320654D+01  0.315864D+02 -0.370269D+02  0.272736D+01 -0.984766D+01
      3   0.156295D+01 -0.654568D+01  0.305023D+01  0.405190D+01 -0.216537D+01
      4   0.106263D+01  0.579720D+01  0.994761D+01 -0.276797D+01 -0.126444D+01
      5   0.860294D+01  0.212611D+01 -0.607766D+01 -0.819611D+01  0.294026D+02
      6  -0.146546D+02 -0.704472D+01  0.968561D+00  0.391254D+01 -0.198956D+02
                71            72            73            74            75 
      1  -0.179367D+02 -0.137236D+02 -0.141905D+00  0.989848D+01  0.236213D+01
      2   0.145411D+02  0.357641D+01 -0.183314D+02 -0.119476D+02  0.278874D+01
      3   0.339554D+01  0.101472D+02  0.184733D+02  0.204911D+01 -0.515087D+01
      4   0.217560D+00 -0.106297D+02  0.324459D+02  0.968515D+01 -0.251136D+01
      5  -0.786623D+01 -0.676657D+00 -0.518364D+01 -0.191076D+01  0.448579D+01
      6   0.169724D+02  0.704512D+01  0.282461D+01 -0.352843D+01 -0.264871D+01
                76            77            78            79            80 
      1   0.333250D+02 -0.722590D+02  0.391247D+01  0.109377D+02  0.443479D+01
      2  -0.233908D+02  0.696108D+02 -0.541073D+01 -0.132026D+01 -0.606413D+01
      3  -0.993421D+01  0.264825D+01  0.149827D+01 -0.961747D+01  0.162934D+01
      4  -0.406246D+02  0.308812D+01  0.163066D+01  0.382485D+01 -0.244208D+01
      5   0.401247D+01  0.441717D+01  0.313299D+01  0.309711D+02 -0.193573D+01
      6   0.361070D+01  0.322723D+01 -0.250034D+01 -0.778808D+01  0.482718D+01
                81            82            83            84            85 
      1  -0.256252D+01  0.590634D+02 -0.576691D+02 -0.124377D+01  0.726803D+01
      2  -0.838188D+01 -0.292524D+02  0.420104D+02 -0.159923D+01 -0.198683D+02
      3   0.109444D+02 -0.298110D+02  0.156587D+02  0.284300D+01  0.126002D+02
      4   0.446117D+01 -0.562994D+02  0.484091D+01  0.401400D+01  0.306610D+02
      5  -0.433172D+01  0.123739D+01  0.387230D+01 -0.456889D+01 -0.162460D+01
      6   0.352179D+01  0.164967D+01  0.330740D+01  0.384768D+00  0.161822D+01
                86            87            88            89            90 
      1   0.359265D+02 -0.397553D+00 -0.326122D+01  0.634308D+01 -0.855411D+01
      2  -0.384444D+02  0.509466D+01 -0.680986D-02  0.807233D+00 -0.608458D+01
      3   0.251788D+01 -0.469711D+01  0.326803D+01 -0.715031D+01  0.146387D+02
      4  -0.600443D+01 -0.611227D+00  0.796730D+01  0.150625D+01  0.378030D+01
      5  -0.263198D+00  0.770479D+01  0.381591D+01  0.972493D+01 -0.668640D+00
      6   0.655853D+00  0.391482D+01  0.294903D+01  0.592347D+01 -0.291432D+01
                91            92            93            94            95 
      1   0.162189D+02  0.890474D+01 -0.659066D+01 -0.440081D+01 -0.144737D+02
      2  -0.815596D+01 -0.287302D+01 -0.552863D+01  0.164146D+02  0.303519D+01
      3  -0.806293D+01 -0.603172D+01  0.121193D+02 -0.120138D+02  0.114385D+02
      4  -0.120747D+02 -0.190600D+02 -0.423132D+01 -0.372903D+02  0.312573D+02
      5   0.219167D+01 -0.412036D+01 -0.147930D+02  0.594368D+01  0.463855D+01
      6  -0.577698D+01  0.286201D+01 -0.505040D+01  0.486916D+01 -0.581333D+01
                96            97            98            99           100 
      1  -0.604954D+01 -0.153208D+02 -0.369781D+01 -0.133212D+02  0.195535D+02
      2  -0.742606D+01  0.365687D+01 -0.378594D-02  0.101181D+02 -0.145217D+02
      3   0.134756D+02  0.116640D+02  0.370160D+01  0.320313D+01 -0.503179D+01
      4   0.355122D+01 -0.633579D+01 -0.650343D+00 -0.308061D+02  0.326831D+02
      5  -0.290054D+02 -0.672294D+02 -0.238068D+02  0.854201D+01 -0.334118D+01
      6  -0.495368D+01 -0.144095D+02 -0.730775D+01  0.269615D+01  0.217864D+00
               101           102           103           104           105 
      1   0.371019D+02 -0.169569D+00 -0.287956D+01  0.158635D+02 -0.429280D+01
      2  -0.225789D+02  0.243518D+01  0.502524D+01 -0.715072D+01  0.301945D+01
      3  -0.145229D+02 -0.226561D+01 -0.214568D+01 -0.871276D+01  0.127334D+01
      4   0.288677D+01  0.148552D+00  0.439400D+02  0.102820D+02 -0.461874D+01
      5   0.174232D+00  0.273505D+02 -0.622953D+01 -0.274598D+01 -0.151433D+02
      6  -0.215798D+01 -0.585718D+01 -0.198173D+01  0.451354D+00  0.100927D+02
               106           107           108           109           110 
      1  -0.353484D+00 -0.438853D+01 -0.320003D-01 -0.662516D+02 -0.505230D+02
      2   0.178715D+01  0.356338D+01  0.109995D+01  0.410631D+02  0.261496D+02
      3  -0.143366D+01  0.825152D+00 -0.106795D+01  0.251885D+02  0.243734D+02
      4  -0.604349D+01  0.290825D+00  0.744135D+01 -0.507262D+02  0.124173D+02
      5   0.594623D+01  0.588921D+01 -0.322411D+01  0.963840D+01  0.967243D+01
      6   0.342094D+01  0.359192D+01 -0.171194D+01  0.287841D+01 -0.193120D+01
               111           112           113           114           115 
      1   0.102163D+02 -0.410954D+02  0.325411D+00  0.188677D+02  0.480720D+01
      2  -0.645513D+01  0.179521D+02 -0.489782D+00 -0.874151D+01 -0.194240D+01
      3  -0.376115D+01  0.231433D+02  0.164371D+00 -0.101262D+02 -0.286480D+01
      4   0.880382D+01 -0.295296D+02  0.278526D+02  0.114385D+02  0.121822D+02
      5  -0.935381D+01  0.139359D+02  0.109043D+02  0.812769D+02 -0.361778D+02
      6   0.148439D+01  0.179385D+01 -0.575122D+01 -0.225214D+02  0.153587D+02
               116           117           118           119           120 
      1   0.156802D+02 -0.498131D+01  0.366138D+02 -0.138206D+02 -0.174780D+01
      2  -0.815947D+01 -0.356668D+00 -0.122105D+02 -0.134885D-01  0.961511D+00
      3  -0.752072D+01  0.533798D+01 -0.244034D+02  0.138340D+02  0.786290D+00
      4   0.572986D+01  0.547261D+02 -0.321494D+02  0.263731D+02  0.240638D+00
      5   0.581529D+02 -0.164962D+02 -0.240457D+00 -0.941411D+00  0.271881D+01
      6  -0.179008D+02 -0.217741D+00  0.404076D+00  0.119552D+00 -0.139044D+01
               121           122           123           124           125 
      1  -0.166662D+02  0.600070D+01  0.601327D-01 -0.257466D+01  0.571603D+00
      2  -0.445272D+01  0.152341D+02 -0.273320D-01  0.230419D+01 -0.124739D+01
      3   0.211189D+02 -0.212348D+02 -0.328007D-01  0.270466D+00  0.675784D+00
      4   0.396522D+02 -0.446068D+02  0.819000D+00 -0.938102D+00  0.180042D+01
      5  -0.270259D+01  0.305449D+01 -0.428785D+01 -0.212855D+01 -0.589181D+00
      6   0.145335D+01 -0.141545D+01  0.412102D+01  0.148629D+01  0.107393D+01
               126           127           128           129           130 
      1  -0.154582D+01  0.373354D+01  0.802387D+01 -0.658067D+00  0.517874D+01
      2   0.148112D+01  0.385188D+01  0.171970D+01 -0.637200D-02  0.868270D+01
      3   0.647016D-01 -0.758542D+01 -0.974357D+01  0.664439D+00 -0.138614D+02
      4  -0.128574D+01  0.242957D+02  0.242347D+02 -0.391587D+01  0.324852D+02
      5   0.540207D+00 -0.232250D+01 -0.281165D+01  0.389172D+01 -0.331976D+01
      6  -0.574308D+00 -0.179987D+01 -0.206462D+01  0.228635D+01 -0.287263D+01
               131           132           133           134           135 
      1  -0.113493D+02  0.132275D+01 -0.632398D+00  0.135796D+00 -0.114981D+01
      2   0.293298D+02 -0.239967D+01 -0.703821D+00 -0.236280D+01  0.262480D+01
      3  -0.179805D+02  0.107691D+01  0.133622D+01  0.222701D+01 -0.147500D+01
      4   0.557489D+02 -0.713005D+01 -0.518700D+01 -0.776205D+01  0.213657D+01
      5  -0.453025D+01  0.608670D+01  0.243685D+01  0.514973D+00 -0.119607D+01
      6  -0.577768D+01  0.660488D+01  0.258893D+01  0.308914D+01 -0.173230D+01
               136           137           138           139           140 
      1  -0.616732D+01 -0.159008D+02  0.256014D+01 -0.671420D+01 -0.489070D+02
      2   0.691023D+01  0.154306D+02 -0.189467D+01  0.658367D+01  0.587506D+02
      3  -0.742908D+00  0.470185D+00 -0.665478D+00  0.130530D+00 -0.984362D+01
      4  -0.894557D+00  0.525842D+01 -0.552311D-01  0.224420D+01 -0.136377D+02
      5   0.535195D+00  0.416899D+00  0.121943D+01  0.184949D+00  0.398165D+01
      6  -0.137178D+01 -0.305323D+01  0.188781D+01 -0.934906D+00 -0.963117D+01
               141           142           143           144           145 
      1   0.589850D+01  0.137930D+01  0.687681D+01 -0.168703D+01 -0.644758D+01
      2  -0.537193D+01 -0.106282D+01 -0.718469D+01  0.199761D+01  0.989090D+01
      3  -0.526567D+00 -0.316482D+00  0.307883D+00 -0.310577D+00 -0.344332D+01
      4   0.188654D+01  0.305833D+00  0.114642D+01  0.177772D+01  0.783011D+01
      5  -0.186303D+01  0.164494D+01  0.666962D+00 -0.512576D+00  0.114186D+00
      6   0.727754D+01  0.491061D+00  0.290670D+01 -0.156281D+01 -0.100161D+01
               146           147           148           149           150 
      1  -0.110206D+02  0.205899D+01 -0.812410D+01 -0.549908D+02  0.589377D+01
      2   0.170790D+02 -0.216694D+01  0.112260D+02  0.777816D+02 -0.690832D+01
      3  -0.605835D+01  0.107949D+00 -0.310187D+01 -0.227908D+02  0.101455D+01
      4   0.168377D+02 -0.166872D+01  0.937513D+01  0.221252D+02 -0.192471D+01
      5  -0.104168D+00  0.228268D+01 -0.352872D+00  0.112341D+01  0.108507D+01
      6  -0.228700D+01  0.238839D+01 -0.912278D+00 -0.630933D+01  0.817069D+01
               151           152           153           154           155 
      1   0.842208D+00  0.746417D+01 -0.159872D+01  0.238991D+01  0.511893D+01
      2  -0.146591D+01 -0.958164D+01  0.227643D+01  0.105833D+02 -0.160783D+02
      3   0.623704D+00  0.211747D+01 -0.677715D+00 -0.129732D+02  0.109593D+02
      4  -0.116098D+01 -0.385419D+01  0.171910D+01 -0.294454D+02  0.257921D+02
      5  -0.820938D+00  0.201318D+01 -0.982220D+00 -0.169070D+01  0.449448D+00
      6  -0.425475D+00  0.295946D+01 -0.163441D+01  0.257077D+01 -0.215450D+01
               156           157           158           159           160 
      1   0.178579D-02  0.108727D+02 -0.204714D+02 -0.270143D-01 -0.225875D+01
      2   0.858847D-01 -0.239944D+02  0.378591D+02  0.552513D-01  0.232688D+01
      3  -0.876705D-01  0.131217D+02 -0.173876D+02 -0.282370D-01 -0.681318D-01
      4   0.660678D+00  0.291652D+02 -0.358070D+02  0.213464D+00 -0.398249D+00
      5   0.342642D+01 -0.706233D+00  0.320018D+00 -0.348854D+01 -0.380163D+00
      6  -0.301665D+01 -0.974682D+00  0.219667D+01  0.526169D+01  0.199747D+01
               161           162           163           164           165 
      1   0.175057D+01 -0.120056D+00  0.361799D+01  0.178460D+00 -0.156860D+00
      2  -0.226911D+01  0.136155D+01 -0.132545D+01  0.561714D+00  0.519023D+00
      3   0.518541D+00 -0.124150D+01 -0.229254D+01 -0.740174D+00 -0.362163D+00
      4   0.124147D+01 -0.158898D+01  0.636036D+01  0.809124D+01 -0.113722D+01
      5  -0.168646D+01  0.699514D+00 -0.183976D+01 -0.164962D+01  0.251018D+01
      6   0.216053D+01 -0.952350D+00 -0.155604D+01 -0.128863D+01  0.994245D+00
               166           167           168           169           170 
      1  -0.414489D+01 -0.170847D+02  0.282617D+01  0.171168D+01  0.120493D+01
      2   0.596494D+01  0.199678D+02 -0.152677D+01 -0.106287D+01 -0.120107D+01
      3  -0.182005D+01 -0.288314D+01 -0.129940D+01 -0.648812D+00 -0.386478D-02
      4   0.116925D+02  0.168637D+02 -0.208239D+01 -0.950897D+00 -0.141023D+01
      5  -0.187044D+01 -0.170251D+01  0.330534D+01  0.342260D+01  0.495193D+00
      6  -0.300636D+01 -0.624109D+01  0.524169D+01  0.236105D+01  0.275636D+01
               171           172           173           174           175 
      1  -0.176180D+01  0.147571D+02 -0.135158D+02 -0.837654D+00 -0.187934D+02
      2   0.215156D+01 -0.198080D+01  0.388845D+01  0.890744D+00  0.511869D+01
      3  -0.389766D+00 -0.127763D+02  0.962733D+01 -0.530905D-01  0.136747D+02
      4   0.197495D+01 -0.233461D+02  0.205405D+02  0.279692D+01  0.266423D+02
      5   0.226312D+00 -0.380380D+01  0.364753D+01  0.840971D+01  0.648909D+01
      6  -0.919627D+00  0.394515D+01 -0.274956D+01 -0.294848D+00 -0.418562D+01
               176           177           178           179           180 
      1   0.632600D+01  0.441307D+00 -0.264137D+00  0.118039D+01  0.269113D+01
      2   0.945251D+01  0.238335D+00  0.127491D+01 -0.131965D+01 -0.133224D+01
      3  -0.157785D+02 -0.679642D+00 -0.101077D+01  0.139257D+00 -0.135888D+01
      4  -0.424642D+02 -0.381367D+01  0.405052D+01 -0.275677D+01 -0.471680D+01
      5  -0.484553D+01 -0.801331D+01  0.109628D+02 -0.425049D+01 -0.348344D+01
      6   0.858010D+01  0.404849D+01 -0.224269D+01  0.625597D+01  0.204411D+01
               181           182           183           184           185 
      1  -0.931412D+02 -0.161120D+02  0.340205D+02 -0.102639D+02  0.231026D+02
      2   0.505287D+02  0.148542D+02 -0.548356D+01  0.323901D+01 -0.165418D+02
      3   0.426126D+02  0.125785D+01 -0.285370D+02  0.702493D+01 -0.656088D+01
      4  -0.186437D+02  0.138699D+02  0.613087D+01  0.204157D+02 -0.170525D+02
      5   0.452642D+02  0.816329D+01  0.136181D+02 -0.475167D+01 -0.539750D+01
      6   0.450281D+01 -0.848361D+01 -0.234726D+00 -0.100092D+02  0.104218D+02
               186           187           188           189           190 
      1   0.181390D+02  0.100623D+02  0.127798D+02  0.250830D+02 -0.226128D+02
      2   0.102266D+02  0.972939D+01  0.515571D+01 -0.179742D+01  0.252032D+02
      3  -0.283656D+02 -0.197917D+02 -0.179355D+02 -0.232855D+02 -0.259042D+01
      4   0.554929D+00 -0.843502D+01  0.144956D+00  0.290071D+02  0.170606D+02
      5   0.354533D+02  0.347988D+02  0.220785D+02 -0.696028D+01 -0.365950D+02
      6   0.307881D+01  0.828824D+01  0.267433D+01 -0.190472D+02  0.564404D+01
               191           192           193           194           195 
      1   0.647029D+01 -0.135479D+02  0.290328D+02  0.417068D+01  0.161799D+02
      2  -0.406995D+01  0.187765D+02 -0.328853D+02 -0.992122D+01 -0.191410D+02
      3  -0.240034D+01 -0.522861D+01  0.385254D+01  0.575054D+01  0.296114D+01
      4  -0.422431D-01  0.961725D+01  0.865728D+01 -0.516717D+01  0.356363D+01
      5   0.100643D+02 -0.154777D+02  0.313795D+02  0.100032D+01  0.491929D+02
      6  -0.496356D+01  0.657685D+01  0.435050D+01  0.241870D+01  0.215803D+01
               196           197           198           199           200 
      1  -0.393003D+02  0.118860D+02 -0.734593D+01  0.200301D+03  0.240707D+02
      2   0.316956D+02 -0.109724D+02  0.189165D+02 -0.106787D+03 -0.135815D+02
      3   0.760467D+01 -0.913601D+00 -0.115706D+02 -0.935138D+02 -0.104892D+02
      4   0.218008D+02 -0.191452D+02  0.304410D+02  0.241619D+02  0.159395D+02
      5  -0.164162D+02  0.279986D+02 -0.185144D+02 -0.215673D+02 -0.273712D+01
      6   0.124710D+02 -0.427362D+01  0.136052D+02 -0.315179D+00 -0.653355D+00
               201           202           203           204           205 
      1  -0.170111D+02  0.675256D+02  0.213196D+02 -0.622561D+01 -0.211222D+02
      2   0.102403D+02 -0.363913D+02 -0.108500D+02  0.387451D+01  0.129618D+02
      3   0.677084D+01 -0.311343D+02 -0.104696D+02  0.235109D+01  0.816039D+01
      4  -0.239911D+01  0.266261D+02  0.168666D+02 -0.379541D+01 -0.291865D+01
      5   0.186405D+02 -0.743637D+01 -0.391678D+01  0.501902D+01  0.265450D+02
      6  -0.413220D+00 -0.123388D+01 -0.612306D+00  0.185309D+01 -0.169972D+00
               206           207           208           209           210 
      1  -0.330176D+01  0.178219D+02  0.897079D+00 -0.408944D+01 -0.121925D+02
      2   0.215151D+01 -0.106840D+02 -0.713252D+00  0.206946D+01  0.518359D+01
      3   0.115024D+01 -0.713790D+01 -0.183827D+00  0.201998D+01  0.700894D+01
      4  -0.333429D+01 -0.116832D+01 -0.774204D+00 -0.154995D+01  0.126098D+01
      5  -0.133649D+01 -0.591036D+01 -0.952448D+01  0.435838D+00 -0.312591D+01
      6   0.285787D+01 -0.794135D-01  0.225830D+01  0.108114D+01  0.228123D+01
               211           212           213           214           215 
      1  -0.175518D+02  0.245193D+01  0.646097D+00 -0.319722D+02  0.155369D+01
      2   0.751079D+01  0.503156D+01  0.122689D+01  0.181449D+02 -0.419454D+00
      3   0.100410D+02 -0.748349D+01 -0.187299D+01  0.138273D+02 -0.113424D+01
      4   0.305010D+02 -0.431276D+02 -0.301778D+02  0.220171D+02 -0.303520D+02
      5   0.193381D+02 -0.305425D+02 -0.376340D+02  0.361582D+02 -0.371904D+02
      6  -0.895618D+01  0.145131D+02  0.149229D+02 -0.119927D+02  0.154145D+02
               216           217           218           219           220 
      1   0.271574D+01  0.162014D+02 -0.460979D+01  0.133473D+02 -0.177588D+02
      2  -0.780973D+01 -0.828609D+01  0.178547D+01 -0.605466D+01  0.704874D+01
      3   0.509399D+01 -0.791528D+01  0.282431D+01 -0.729267D+01  0.107101D+02
      4  -0.349951D+02 -0.500106D+01  0.264639D+01 -0.739872D+01  0.282635D+02
      5  -0.489659D+02  0.160680D+02 -0.690107D+01  0.446925D+01 -0.205635D+02
      6   0.164238D+02 -0.373036D+01  0.138503D+01  0.253955D+00  0.584663D+01
               221           222           223           224           225 
      1   0.919373D+01 -0.938245D+01  0.500219D+02 -0.132569D+02  0.148296D+02
      2  -0.119214D-02  0.187307D+01 -0.277519D+02  0.512012D+01 -0.123987D+02
      3  -0.919254D+01  0.750938D+01 -0.222700D+02  0.813674D+01 -0.243090D+01
      4  -0.295825D+02  0.208421D+02 -0.286170D+02  0.261672D+02 -0.320802D+02
      5   0.220322D+02 -0.322602D+02  0.465215D+02 -0.352458D+02  0.639988D+02
      6  -0.714216D+01  0.107127D+02 -0.117872D+02  0.115800D+02 -0.137150D+02
               226           227           228           229           230 
      1  -0.382673D+00 -0.366525D+01 -0.198044D+02 -0.598781D+01 -0.109059D+02
      2  -0.355777D+01 -0.680659D+00 -0.118093D+01  0.449788D+01  0.642832D+00
      3   0.394044D+01  0.434591D+01  0.209853D+02  0.148993D+01  0.102630D+02
      4  -0.204623D+01 -0.374824D+01 -0.293636D+01 -0.161730D+01 -0.742599D+01
      5  -0.552198D+01 -0.636074D+00 -0.790006D+01  0.595987D+01 -0.809937D+01
      6   0.151995D+01  0.344165D+01  0.164540D+01  0.477580D+00  0.651216D+01
               231           232           233           234           235 
      1  -0.142574D+02 -0.112067D+02 -0.897147D+01 -0.370549D+02  0.121311D+01
      2  -0.753183D+01  0.512938D+01 -0.405464D+01 -0.195859D+02  0.165853D+01
      3   0.217892D+02  0.607732D+01  0.130261D+02  0.566408D+02 -0.287164D+01
      4  -0.110199D+02 -0.139917D+01 -0.871619D+01 -0.129270D+02  0.419377D+01
      5  -0.239222D+02  0.743004D+01 -0.950747D+01 -0.461712D+02  0.163961D+00
      6   0.998517D+01  0.692558D+00  0.837532D+01  0.799408D+01 -0.249595D+01
               236           237           238           239           240 
      1   0.103673D+02 -0.616553D+01  0.126950D+02 -0.209062D+02  0.405415D+01
      2  -0.786560D+01 -0.881110D-01 -0.777125D+01  0.225151D+02 -0.493695D+00
      3  -0.250169D+01  0.625364D+01 -0.492374D+01 -0.160890D+01 -0.356045D+01
      4  -0.604396D+01  0.130364D+01  0.362952D+01  0.335135D+02 -0.740733D+01
      5  -0.126242D+01 -0.477802D+01 -0.864886D+01 -0.311958D+01  0.888210D+01
      6   0.589147D+01 -0.260532D+01  0.317795D+00 -0.220612D+02  0.848128D+01
               241           242           243           244           245 
      1   0.459929D+00  0.208153D+01 -0.773589D+01  0.124418D+03  0.114896D+02
      2  -0.164226D+01 -0.702120D+00  0.252116D+01 -0.733585D+02 -0.591678D+01
      3   0.118234D+01 -0.137941D+01  0.521473D+01 -0.510593D+02 -0.557285D+01
      4   0.134022D+01 -0.123674D+01  0.150566D+01  0.281093D+02  0.150651D+02
      5  -0.217977D+01  0.151825D+01  0.593362D+00 -0.725631D+02 -0.865551D+01
      6  -0.897891D+00  0.509008D+01 -0.118550D+01 -0.709411D+01 -0.523937D+01
               246           247           248           249           250 
      1  -0.251718D+02  0.806543D+01  0.814952D+01 -0.260686D+01 -0.718036D+01
      2   0.212572D+02 -0.362227D+01 -0.323843D+01  0.150806D+00  0.920734D+01
      3   0.391459D+01 -0.444316D+01 -0.491109D+01  0.245606D+01 -0.202698D+01
      4  -0.750935D+01  0.174361D+02  0.709270D+01 -0.499173D+01 -0.143248D+01
      5   0.326825D+02 -0.482246D+01 -0.665007D+01 -0.233785D-02  0.215473D+02
      6   0.404936D+01 -0.552876D+01 -0.296729D+01  0.323402D+01  0.277422D+01
               251           252           253           254           255 
      1  -0.146736D+01  0.876952D+01  0.776715D+02 -0.227371D+02  0.332589D+02
      2   0.153845D+00 -0.100034D+02 -0.515544D+02  0.128064D+02 -0.254077D+02
      3   0.131351D+01  0.123390D+01 -0.261171D+02  0.993071D+01 -0.785125D+01
      4  -0.190320D+01  0.584165D+00 -0.258697D+02  0.206561D+02 -0.828638D+01
      5   0.117782D+01 -0.127406D+02  0.594591D+02 -0.125829D+02  0.391879D+02
      6   0.180034D+01 -0.385947D+00 -0.794837D+01  0.702148D+01 -0.448360D+01
               256           257           258           259           260 
      1  -0.433430D+02  0.117624D+02 -0.909701D+01  0.505853D+02 -0.563177D+01
      2   0.324208D+02 -0.687671D+01  0.153992D+02 -0.463068D+02  0.104299D+02
      3   0.109222D+02 -0.488567D+01 -0.630216D+01 -0.427856D+01 -0.479810D+01
      4   0.226998D+02 -0.350698D+02  0.210690D+02 -0.130347D+02  0.272559D+02
      5  -0.348146D+02  0.215346D+02 -0.360130D+02  0.716854D+02 -0.258213D+02
      6   0.960003D+01 -0.141539D+02  0.129784D+02 -0.550692D+01  0.154000D+02
               261           262           263           264           265 
      1   0.141825D+02 -0.217048D+01  0.120203D+02  0.140937D+01  0.144365D+02
      2  -0.412657D+02  0.500148D+01 -0.542800D+01 -0.454628D+00 -0.390453D+01
      3   0.270832D+02 -0.283100D+01 -0.659234D+01 -0.954738D+00 -0.105320D+02
      4  -0.247394D+02 -0.145804D+00 -0.198636D+01 -0.123077D+02  0.117138D+02
      5   0.731158D+02 -0.884350D+01 -0.819259D+01 -0.102411D+02 -0.940860D+01
      6  -0.135222D+02 -0.299321D+01 -0.625678D+01 -0.881296D+01 -0.638228D+01
               266           267           268           269           270 
      1  -0.106920D+02 -0.529954D+01 -0.620221D+01 -0.595418D+01 -0.705572D+01
      2   0.291049D+02  0.474470D+01  0.267827D+01  0.188223D+01  0.631400D+01
      3  -0.184129D+02  0.554841D+00  0.352394D+01  0.407196D+01  0.741722D+00
      4   0.300468D+02 -0.136739D+02 -0.255111D+02 -0.253692D+02 -0.211100D+02
      5  -0.132217D+02 -0.155403D+02 -0.213754D+02 -0.191241D+02 -0.385100D+02
      6   0.277966D+01 -0.241959D+01 -0.147964D+02 -0.818032D+01 -0.187048D+02
               271           272           273           274           275 
      1   0.966424D+01  0.768691D+01  0.807371D+01  0.350786D+01 -0.282940D+01
      2  -0.451203D+01 -0.338742D+01 -0.487629D+01  0.113099D+01  0.648419D+01
      3  -0.515221D+01 -0.429949D+01 -0.319742D+01 -0.463885D+01 -0.365479D+01
      4   0.187327D+02  0.163578D+02  0.140390D+02  0.157340D+02  0.248003D+02
      5   0.163117D+02  0.125643D+02  0.170230D+02  0.997558D+01  0.136557D+02
      6   0.941773D+01  0.687933D+01  0.778189D+01  0.752779D+01  0.129518D+02
               276           277           278           279 
      1  -0.159472D+01  0.658532D+01 -0.195649D+01 -0.242939D+01
      2   0.288497D+01 -0.636669D+01 -0.108250D+00 -0.676638D+01
      3  -0.129026D+01 -0.218624D+00  0.206474D+01  0.919577D+01
      4   0.148319D+02  0.257905D+02  0.315249D+02  0.326802D+02
      5   0.147314D+02  0.306832D+02  0.295248D+02  0.456237D+02
      6   0.110344D+02  0.163988D+02  0.208083D+02  0.260336D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep 29 13:56:10 2021, MaxMem=  8589934592 cpu:           67199.2 elap:            8404.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.20189 -19.18440 -19.14419 -10.32270 -10.25251
 Alpha  occ. eigenvalues --  -10.24511 -10.21188 -10.20071 -10.20054 -10.19747
 Alpha  occ. eigenvalues --  -10.19684 -10.19595 -10.19135 -10.19022 -10.18979
 Alpha  occ. eigenvalues --  -10.18709 -10.18448  -1.12021  -1.07902  -1.03030
 Alpha  occ. eigenvalues --   -0.88675  -0.84573  -0.80510  -0.78397  -0.74766
 Alpha  occ. eigenvalues --   -0.74100  -0.69867  -0.67537  -0.64467  -0.62056
 Alpha  occ. eigenvalues --   -0.60862  -0.59001  -0.54182  -0.52496  -0.51965
 Alpha  occ. eigenvalues --   -0.49674  -0.48483  -0.47878  -0.47684  -0.46572
 Alpha  occ. eigenvalues --   -0.45445  -0.44904  -0.43670  -0.42631  -0.42281
 Alpha  occ. eigenvalues --   -0.41362  -0.40382  -0.39938  -0.39010  -0.38640
 Alpha  occ. eigenvalues --   -0.36761  -0.36128  -0.35155  -0.34737  -0.33244
 Alpha  occ. eigenvalues --   -0.32925  -0.31436  -0.29360  -0.27796  -0.24449
 Alpha  occ. eigenvalues --   -0.21250
 Alpha virt. eigenvalues --   -0.05226  -0.02419  -0.01479  -0.01044  -0.00012
 Alpha virt. eigenvalues --    0.00211   0.00480   0.00863   0.01015   0.01576
 Alpha virt. eigenvalues --    0.02174   0.02591   0.02815   0.03104   0.03936
 Alpha virt. eigenvalues --    0.04716   0.05232   0.05350   0.06026   0.06438
 Alpha virt. eigenvalues --    0.06966   0.07137   0.07771   0.07902   0.08120
 Alpha virt. eigenvalues --    0.08413   0.08618   0.08948   0.09119   0.09263
 Alpha virt. eigenvalues --    0.09467   0.09706   0.10101   0.10132   0.10818
 Alpha virt. eigenvalues --    0.11084   0.11386   0.11801   0.12162   0.12350
 Alpha virt. eigenvalues --    0.12583   0.12919   0.13080   0.13374   0.13515
 Alpha virt. eigenvalues --    0.13927   0.14131   0.14679   0.15017   0.15268
 Alpha virt. eigenvalues --    0.15510   0.16082   0.16395   0.16935   0.17218
 Alpha virt. eigenvalues --    0.17612   0.17901   0.18375   0.18945   0.19009
 Alpha virt. eigenvalues --    0.19505   0.19749   0.20311   0.20656   0.20994
 Alpha virt. eigenvalues --    0.21145   0.21801   0.22277   0.22467   0.22616
 Alpha virt. eigenvalues --    0.23175   0.23286   0.23822   0.24187   0.24287
 Alpha virt. eigenvalues --    0.24682   0.25251   0.25575   0.25790   0.25955
 Alpha virt. eigenvalues --    0.26449   0.26656   0.26917   0.27057   0.27601
 Alpha virt. eigenvalues --    0.28080   0.28522   0.28676   0.28975   0.29170
 Alpha virt. eigenvalues --    0.29535   0.29814   0.30035   0.30336   0.30786
 Alpha virt. eigenvalues --    0.31071   0.31587   0.31896   0.31915   0.32714
 Alpha virt. eigenvalues --    0.32923   0.33227   0.33725   0.33861   0.34337
 Alpha virt. eigenvalues --    0.34655   0.34938   0.35671   0.35911   0.36149
 Alpha virt. eigenvalues --    0.36542   0.36877   0.37174   0.37520   0.37708
 Alpha virt. eigenvalues --    0.37838   0.39101   0.39215   0.39591   0.39714
 Alpha virt. eigenvalues --    0.40434   0.41282   0.41844   0.42133   0.42507
 Alpha virt. eigenvalues --    0.43515   0.43910   0.44298   0.44884   0.45358
 Alpha virt. eigenvalues --    0.45398   0.46367   0.46814   0.47057   0.47600
 Alpha virt. eigenvalues --    0.47832   0.48945   0.49249   0.49438   0.49652
 Alpha virt. eigenvalues --    0.50192   0.50356   0.50889   0.51663   0.51926
 Alpha virt. eigenvalues --    0.52232   0.52433   0.53005   0.53987   0.54219
 Alpha virt. eigenvalues --    0.54630   0.55044   0.55309   0.56139   0.56608
 Alpha virt. eigenvalues --    0.56916   0.57023   0.57774   0.58135   0.58551
 Alpha virt. eigenvalues --    0.58612   0.59447   0.59796   0.59977   0.60423
 Alpha virt. eigenvalues --    0.60900   0.61193   0.61538   0.62200   0.62939
 Alpha virt. eigenvalues --    0.63036   0.63307   0.63947   0.64148   0.64554
 Alpha virt. eigenvalues --    0.65287   0.65479   0.66168   0.66407   0.66492
 Alpha virt. eigenvalues --    0.66787   0.67481   0.67562   0.67822   0.68592
 Alpha virt. eigenvalues --    0.68756   0.69059   0.70258   0.70550   0.70940
 Alpha virt. eigenvalues --    0.71526   0.72069   0.73881   0.73960   0.74121
 Alpha virt. eigenvalues --    0.74784   0.74853   0.75286   0.75882   0.76274
 Alpha virt. eigenvalues --    0.76350   0.76724   0.76998   0.77498   0.78256
 Alpha virt. eigenvalues --    0.78781   0.79293   0.79694   0.79861   0.80679
 Alpha virt. eigenvalues --    0.81235   0.81534   0.82461   0.82953   0.84243
 Alpha virt. eigenvalues --    0.84654   0.85197   0.85662   0.86611   0.87230
 Alpha virt. eigenvalues --    0.88359   0.88626   0.89110   0.90114   0.90596
 Alpha virt. eigenvalues --    0.91537   0.92066   0.92834   0.93467   0.94684
 Alpha virt. eigenvalues --    0.94711   0.96479   0.97470   0.97781   0.98852
 Alpha virt. eigenvalues --    0.99643   1.00184   1.01281   1.01519   1.03810
 Alpha virt. eigenvalues --    1.04351   1.05994   1.07301   1.07849   1.08481
 Alpha virt. eigenvalues --    1.09888   1.10482   1.10895   1.11407   1.12711
 Alpha virt. eigenvalues --    1.13183   1.13594   1.15371   1.15662   1.17569
 Alpha virt. eigenvalues --    1.18406   1.18659   1.19741   1.20353   1.21248
 Alpha virt. eigenvalues --    1.21866   1.23908   1.25927   1.26507   1.27535
 Alpha virt. eigenvalues --    1.27894   1.29678   1.30268   1.30971   1.31549
 Alpha virt. eigenvalues --    1.33449   1.33649   1.33951   1.34678   1.34899
 Alpha virt. eigenvalues --    1.35847   1.37896   1.38695   1.39369   1.40464
 Alpha virt. eigenvalues --    1.40965   1.42566   1.43671   1.44796   1.45121
 Alpha virt. eigenvalues --    1.45499   1.46336   1.47238   1.47407   1.48883
 Alpha virt. eigenvalues --    1.49392   1.50624   1.51311   1.52376   1.52504
 Alpha virt. eigenvalues --    1.53948   1.54333   1.54642   1.55020   1.56013
 Alpha virt. eigenvalues --    1.56092   1.57827   1.58780   1.58955   1.59567
 Alpha virt. eigenvalues --    1.59819   1.61110   1.61591   1.62898   1.63262
 Alpha virt. eigenvalues --    1.64130   1.64777   1.65437   1.65737   1.66540
 Alpha virt. eigenvalues --    1.68028   1.68499   1.68953   1.69702   1.70472
 Alpha virt. eigenvalues --    1.71309   1.72901   1.73831   1.74131   1.75304
 Alpha virt. eigenvalues --    1.76222   1.76690   1.77427   1.78925   1.80121
 Alpha virt. eigenvalues --    1.81112   1.81713   1.82547   1.83807   1.84901
 Alpha virt. eigenvalues --    1.86349   1.86673   1.87435   1.87924   1.88976
 Alpha virt. eigenvalues --    1.90483   1.90947   1.91078   1.92230   1.93321
 Alpha virt. eigenvalues --    1.93652   1.94075   1.95369   1.95510   1.96854
 Alpha virt. eigenvalues --    1.97282   1.98251   1.98936   1.99895   2.00419
 Alpha virt. eigenvalues --    2.00641   2.01895   2.02750   2.03635   2.05243
 Alpha virt. eigenvalues --    2.05461   2.06378   2.06713   2.08336   2.08544
 Alpha virt. eigenvalues --    2.09750   2.10443   2.10827   2.11793   2.12505
 Alpha virt. eigenvalues --    2.12994   2.13145   2.14020   2.15728   2.17516
 Alpha virt. eigenvalues --    2.18927   2.19204   2.21594   2.22234   2.24295
 Alpha virt. eigenvalues --    2.25247   2.25441   2.25978   2.27215   2.29247
 Alpha virt. eigenvalues --    2.30722   2.31634   2.31788   2.32864   2.34193
 Alpha virt. eigenvalues --    2.36262   2.38063   2.39371   2.40396   2.41601
 Alpha virt. eigenvalues --    2.42575   2.43983   2.47856   2.49284   2.49718
 Alpha virt. eigenvalues --    2.51329   2.55119   2.56948   2.58687   2.59313
 Alpha virt. eigenvalues --    2.61152   2.62085   2.64740   2.66731   2.67395
 Alpha virt. eigenvalues --    2.69569   2.70769   2.72729   2.74107   2.75513
 Alpha virt. eigenvalues --    2.77129   2.80916   2.82276   2.84891   2.87289
 Alpha virt. eigenvalues --    2.91961   2.94002   2.95874   3.00554   3.04211
 Alpha virt. eigenvalues --    3.09378   3.17333   3.20102   3.22544   3.35136
 Alpha virt. eigenvalues --    3.36671   3.37575   3.39028   3.40592   3.40790
 Alpha virt. eigenvalues --    3.42300   3.44411   3.47051   3.48354   3.51275
 Alpha virt. eigenvalues --    3.51777   3.53611   3.55371   3.59873   3.62343
 Alpha virt. eigenvalues --    3.69961   3.75648   3.79929   3.84622   3.92813
 Alpha virt. eigenvalues --    4.05445   4.43037   4.64649
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   25.630462  -5.334185  -6.755907   1.168933 -11.174296   1.854771
     2  C   -5.334185  29.411638   2.698951 -12.804412   1.616219  -9.772204
     3  C   -6.755907   2.698951  45.474882  -7.911033  -6.420760 -12.360763
     4  C    1.168933 -12.804412  -7.911033  50.595015 -14.156041  -7.012297
     5  C  -11.174296   1.616219  -6.420760 -14.156041  48.937061  -9.721189
     6  C    1.854771  -9.772204 -12.360763  -7.012297  -9.721189  51.188649
     7  C    0.021322  -0.675895  -5.212519 -10.175629   1.134569  -0.575052
     8  C    0.000870   0.601776   1.176914   4.607030  -1.855043  -0.338302
     9  C    0.439006   0.352368  -0.657450  -0.419799   0.884427  -3.535363
    10  C   -0.454357  -0.690674  -0.554840   1.392312  -7.232285  -0.615892
    11  C    0.122720   0.061830  -0.870553  -1.286902   1.237797   0.366006
    12  O   -1.595956   1.155938   0.294806  -0.323238   0.284515  -0.123558
    13  C    0.153501  -0.073481  -0.259579   0.127904  -0.070728  -0.058019
    14  H    1.192733  -3.332005   0.071519   0.167141  -0.500687   0.943570
    15  H    1.148192  -0.336993  -4.271923   1.856730  -0.499981   0.237134
    16  H   -0.529605   2.439316   0.197978  -0.838628   2.217822  -5.019585
    17  H    0.218833   0.159368   1.488502   0.939539  -1.017135  -0.388333
    18  H   -0.001444  -0.021246  -0.221628  -0.941643   0.215964   0.162285
    19  H    0.040081   0.090180  -0.080036  -0.611592   1.033222   0.775818
    20  H    0.000220   0.007905  -0.042344  -0.092999  -0.079858   0.040320
    21  C    0.003173  -0.005682   0.021313  -0.042247   0.054732  -0.106981
    22  C   -0.004286   0.003474   0.033305   0.134178  -0.093820  -0.145004
    23  H    1.126412  -0.417644  -0.467651   0.222175   0.009932  -0.098747
    24  H   -0.485447   0.192861   0.186217  -0.113028  -0.020979   0.127418
    25  H   -0.501753   0.209540   0.181348  -0.120082  -0.015168   0.131629
    26  H    0.003439  -0.002119  -0.011869  -0.035418   0.049809  -0.001161
    27  H   -0.005479   0.025579  -0.002527  -0.130013   0.131658  -0.019822
    28  H    0.000371  -0.004052   0.006163   0.079089  -0.108352  -0.007621
    29  O   -0.000545   0.001389  -0.000568  -0.023991   0.026632   0.009950
    30  O   -0.001128  -0.002725   0.005538  -0.009129  -0.037520  -0.003746
    31  H   -0.000558   0.001845   0.000620  -0.005439   0.004279  -0.004065
               7          8          9         10         11         12
     1  C    0.021322   0.000870   0.439006  -0.454357   0.122720  -1.595956
     2  C   -0.675895   0.601776   0.352368  -0.690674   0.061830   1.155938
     3  C   -5.212519   1.176914  -0.657450  -0.554840  -0.870553   0.294806
     4  C  -10.175629   4.607030  -0.419799   1.392312  -1.286902  -0.323238
     5  C    1.134569  -1.855043   0.884427  -7.232285   1.237797   0.284515
     6  C   -0.575052  -0.338302  -3.535363  -0.615892   0.366006  -0.123558
     7  C   41.933034 -23.259240   7.510890  -5.762926   1.106404  -0.055256
     8  C  -23.259240  39.600018 -12.450029   2.566374  -3.038518  -0.051012
     9  C    7.510890 -12.450029  31.138738 -15.098417  -5.331174   0.021607
    10  C   -5.762926   2.566374 -15.098417  37.333248  -1.261250   0.001489
    11  C    1.106404  -3.038518  -5.331174  -1.261250  19.014344  -0.000288
    12  O   -0.055256  -0.051012   0.021607   0.001489  -0.000288   9.499069
    13  C    0.023482  -0.024090   0.033894  -0.023748   0.002775   0.164137
    14  H    0.020492   0.040065  -0.020152  -0.204338  -0.005053  -0.180260
    15  H    0.622009   0.089141   0.071593  -0.058858  -0.003427  -0.130577
    16  H   -0.040641  -0.013998   0.207910   0.228516   0.059255   0.005436
    17  H   -4.970151   3.014923  -0.699977   0.094917   0.002762  -0.008807
    18  H    2.999763  -5.183246   1.478741  -0.302533   0.297048   0.000084
    19  H   -0.366774   0.543478   0.925502  -4.420830  -0.215614  -0.001118
    20  H    0.109164   0.058573   0.402295   0.080349  -2.070142  -0.000061
    21  C    0.195435  -0.333133   0.079374  -0.523225   0.171133   0.000025
    22  C   -0.289391  -0.174792   0.520478  -0.771745  -2.291640  -0.000042
    23  H   -0.014886  -0.007446   0.006013  -0.000829   0.000235  -0.661276
    24  H    0.009573   0.001029  -0.001532  -0.000018   0.000190   0.189308
    25  H    0.010929   0.001780  -0.002567  -0.000897   0.000046   0.189426
    26  H    0.035315  -0.011599  -0.731183   0.070340   0.724411   0.000006
    27  H    0.123345  -0.065073  -0.323005  -0.272054   0.304608   0.000129
    28  H   -0.064376  -0.021452   1.040171   0.109571  -0.879239  -0.000014
    29  O    0.043401  -0.011500   0.146003  -0.022774   0.051739  -0.000000
    30  O    0.038175  -0.023035   0.239146   0.012995  -0.576609   0.000008
    31  H    0.004517   0.001197  -0.068530  -0.002095   0.226140   0.000010
              13         14         15         16         17         18
     1  C    0.153501   1.192733   1.148192  -0.529605   0.218833  -0.001444
     2  C   -0.073481  -3.332005  -0.336993   2.439316   0.159368  -0.021246
     3  C   -0.259579   0.071519  -4.271923   0.197978   1.488502  -0.221628
     4  C    0.127904   0.167141   1.856730  -0.838628   0.939539  -0.941643
     5  C   -0.070728  -0.500687  -0.499981   2.217822  -1.017135   0.215964
     6  C   -0.058019   0.943570   0.237134  -5.019585  -0.388333   0.162285
     7  C    0.023482   0.020492   0.622009  -0.040641  -4.970151   2.999763
     8  C   -0.024090   0.040065   0.089141  -0.013998   3.014923  -5.183246
     9  C    0.033894  -0.020152   0.071593   0.207910  -0.699977   1.478741
    10  C   -0.023748  -0.204338  -0.058858   0.228516   0.094917  -0.302533
    11  C    0.002775  -0.005053  -0.003427   0.059255   0.002762   0.297048
    12  O    0.164137  -0.180260  -0.130577   0.005436  -0.008807   0.000084
    13  C    4.032009  -0.053804   0.045658   0.020076  -0.000614  -0.000571
    14  H   -0.053804   4.679320  -0.051743  -0.422535   0.004070  -0.002294
    15  H    0.045658  -0.051743   3.561455   0.012283  -0.254147  -0.002203
    16  H    0.020076  -0.422535   0.012283   4.003760  -0.000358   0.007943
    17  H   -0.000614   0.004070  -0.254147  -0.000358   3.770722  -0.329431
    18  H   -0.000571  -0.002294  -0.002203   0.007943  -0.329431   4.146857
    19  H   -0.002104   0.036709   0.005676  -0.439263   0.008059  -0.066960
    20  H    0.000182  -0.000220   0.000481  -0.000918   0.000363  -0.156729
    21  C    0.000160  -0.000684  -0.000252   0.000033   0.008275   0.054191
    22  C   -0.000045  -0.000639   0.001255   0.000655   0.010715   0.003770
    23  H   -0.032816   0.054419  -0.025467  -0.001216   0.002368  -0.000217
    24  H    0.327354  -0.102883   0.014949   0.006259  -0.001097   0.000114
    25  H    0.327826  -0.103405   0.015078   0.006560  -0.001173   0.000128
    26  H    0.000054  -0.000294  -0.000292   0.003491   0.001516  -0.004856
    27  H    0.000055  -0.000856  -0.000300   0.008738   0.001578  -0.001455
    28  H   -0.000003   0.000066   0.000186  -0.001014  -0.000318   0.014636
    29  O    0.000000   0.000011   0.000167   0.000589  -0.000581   0.004016
    30  O   -0.000002  -0.000378   0.000049   0.001956   0.000114   0.006575
    31  H   -0.000001  -0.000074   0.000010   0.000349   0.000220  -0.000893
              19         20         21         22         23         24
     1  C    0.040081   0.000220   0.003173  -0.004286   1.126412  -0.485447
     2  C    0.090180   0.007905  -0.005682   0.003474  -0.417644   0.192861
     3  C   -0.080036  -0.042344   0.021313   0.033305  -0.467651   0.186217
     4  C   -0.611592  -0.092999  -0.042247   0.134178   0.222175  -0.113028
     5  C    1.033222  -0.079858   0.054732  -0.093820   0.009932  -0.020979
     6  C    0.775818   0.040320  -0.106981  -0.145004  -0.098747   0.127418
     7  C   -0.366774   0.109164   0.195435  -0.289391  -0.014886   0.009573
     8  C    0.543478   0.058573  -0.333133  -0.174792  -0.007446   0.001029
     9  C    0.925502   0.402295   0.079374   0.520478   0.006013  -0.001532
    10  C   -4.420830   0.080349  -0.523225  -0.771745  -0.000829  -0.000018
    11  C   -0.215614  -2.070142   0.171133  -2.291640   0.000235   0.000190
    12  O   -0.001118  -0.000061   0.000025  -0.000042  -0.661276   0.189308
    13  C   -0.002104   0.000182   0.000160  -0.000045  -0.032816   0.327354
    14  H    0.036709  -0.000220  -0.000684  -0.000639   0.054419  -0.102883
    15  H    0.005676   0.000481  -0.000252   0.001255  -0.025467   0.014949
    16  H   -0.439263  -0.000918   0.000033   0.000655  -0.001216   0.006259
    17  H    0.008059   0.000363   0.008275   0.010715   0.002368  -0.001097
    18  H   -0.066960  -0.156729   0.054191   0.003770  -0.000217   0.000114
    19  H    4.903369  -0.011159   0.057867   0.113116  -0.000325  -0.000841
    20  H   -0.011159   2.942500   0.093338   0.261044   0.000019   0.000011
    21  C    0.057867   0.093338   4.664154   0.129985   0.000029   0.000003
    22  C    0.113116   0.261044   0.129985   8.216681  -0.000004   0.000038
    23  H   -0.000325   0.000019   0.000029  -0.000004   3.203695  -0.634397
    24  H   -0.000841   0.000011   0.000003   0.000038  -0.634397   1.660521
    25  H   -0.000620  -0.000001  -0.000001   0.000020  -0.633257  -0.142094
    26  H   -0.031063  -0.031688  -0.034265   0.020666  -0.000000   0.000010
    27  H   -0.131801   0.099287   0.466799   0.001244   0.000007   0.000016
    28  H    0.039500  -0.016040  -0.250816   0.019214   0.000001  -0.000002
    29  O   -0.005029   0.053217  -0.013345  -0.160403  -0.000000  -0.000000
    30  O   -0.040969   0.066307   0.099268   0.009476  -0.000001   0.000014
    31  H    0.005500   0.006586  -0.025863  -0.208994  -0.000002   0.000006
              25         26         27         28         29         30
     1  C   -0.501753   0.003439  -0.005479   0.000371  -0.000545  -0.001128
     2  C    0.209540  -0.002119   0.025579  -0.004052   0.001389  -0.002725
     3  C    0.181348  -0.011869  -0.002527   0.006163  -0.000568   0.005538
     4  C   -0.120082  -0.035418  -0.130013   0.079089  -0.023991  -0.009129
     5  C   -0.015168   0.049809   0.131658  -0.108352   0.026632  -0.037520
     6  C    0.131629  -0.001161  -0.019822  -0.007621   0.009950  -0.003746
     7  C    0.010929   0.035315   0.123345  -0.064376   0.043401   0.038175
     8  C    0.001780  -0.011599  -0.065073  -0.021452  -0.011500  -0.023035
     9  C   -0.002567  -0.731183  -0.323005   1.040171   0.146003   0.239146
    10  C   -0.000897   0.070340  -0.272054   0.109571  -0.022774   0.012995
    11  C    0.000046   0.724411   0.304608  -0.879239   0.051739  -0.576609
    12  O    0.189426   0.000006   0.000129  -0.000014  -0.000000   0.000008
    13  C    0.327826   0.000054   0.000055  -0.000003   0.000000  -0.000002
    14  H   -0.103405  -0.000294  -0.000856   0.000066   0.000011  -0.000378
    15  H    0.015078  -0.000292  -0.000300   0.000186   0.000167   0.000049
    16  H    0.006560   0.003491   0.008738  -0.001014   0.000589   0.001956
    17  H   -0.001173   0.001516   0.001578  -0.000318  -0.000581   0.000114
    18  H    0.000128  -0.004856  -0.001455   0.014636   0.004016   0.006575
    19  H   -0.000620  -0.031063  -0.131801   0.039500  -0.005029  -0.040969
    20  H   -0.000001  -0.031688   0.099287  -0.016040   0.053217   0.066307
    21  C   -0.000001  -0.034265   0.466799  -0.250816  -0.013345   0.099268
    22  C    0.000020   0.020666   0.001244   0.019214  -0.160403   0.009476
    23  H   -0.633257  -0.000000   0.000007   0.000001  -0.000000  -0.000001
    24  H   -0.142094   0.000010   0.000016  -0.000002  -0.000000   0.000014
    25  H    1.660424   0.000012  -0.000008   0.000003   0.000001   0.000003
    26  H    0.000012   1.994501  -0.282246  -0.435015  -0.002684   0.014607
    27  H   -0.000008  -0.282246   1.743732  -0.481228  -0.000042   0.025250
    28  H    0.000003  -0.435015  -0.481228   2.328036   0.007152   0.005481
    29  O    0.000001  -0.002684  -0.000042   0.007152   8.508417  -0.004224
    30  O    0.000003   0.014607   0.025250   0.005481  -0.004224   8.416508
    31  H    0.000004   0.003879  -0.008575  -0.000001  -0.022043   0.290459
              31
     1  C   -0.000558
     2  C    0.001845
     3  C    0.000620
     4  C   -0.005439
     5  C    0.004279
     6  C   -0.004065
     7  C    0.004517
     8  C    0.001197
     9  C   -0.068530
    10  C   -0.002095
    11  C    0.226140
    12  O    0.000010
    13  C   -0.000001
    14  H   -0.000074
    15  H    0.000010
    16  H    0.000349
    17  H    0.000220
    18  H   -0.000893
    19  H    0.005500
    20  H    0.006586
    21  C   -0.025863
    22  C   -0.208994
    23  H   -0.000002
    24  H    0.000006
    25  H    0.000004
    26  H    0.003879
    27  H   -0.008575
    28  H   -0.000001
    29  O   -0.022043
    30  O    0.290459
    31  H    0.633631
 Mulliken charges:
               1
     1  C   -0.280096
     2  C    0.443140
     3  C    0.263893
     4  C    1.763515
     5  C    1.165204
     6  C    0.070154
     7  C    1.520918
     8  C    0.558339
     9  C   -0.158977
    10  C    2.384473
    11  C    0.080966
    12  O   -0.674528
    13  C    1.340537
    14  H   -1.227810
    15  H   -1.045884
    16  H   -1.121162
    17  H   -1.054722
    18  H   -1.154768
    19  H   -1.151978
    20  H   -0.720002
    21  C    1.237207
    22  C    0.661490
    23  H   -0.629124
    24  H   -0.213572
    25  H   -0.213732
    26  H   -0.306306
    27  H   -0.207542
    28  H   -0.380096
    29  O   -0.584955
    30  O   -0.532463
    31  H    0.167881
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.280096
     2  C   -0.784671
     3  C   -0.781992
     4  C    1.763515
     5  C    1.165204
     6  C   -1.051008
     7  C    0.466196
     8  C   -0.596428
     9  C   -0.158977
    10  C    1.232495
    11  C   -0.639035
    12  O   -0.674528
    13  C    0.284108
    21  C    0.343263
    22  C    0.661490
    29  O   -0.584955
    30  O   -0.364582
 Electronic spatial extent (au):  <R**2>=           5465.4384
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              2.0127    Y=             -2.2941    Z=              1.2485  Tot=              3.2974
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -93.0814   YY=            -92.7644   ZZ=           -104.3609
   XY=             -1.1203   XZ=             -6.8315   YZ=              3.9682
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              3.6542   YY=              3.9712   ZZ=             -7.6253
   XY=             -1.1203   XZ=             -6.8315   YZ=              3.9682
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             99.6570  YYY=             -3.3943  ZZZ=            -10.2204  XYY=             -3.7570
  XXY=            -62.8281  XXZ=             22.4446  XZZ=             -3.3860  YZZ=            -14.2599
  YYZ=             -9.4368  XYZ=            -19.8505
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5502.6673 YYYY=           -799.2160 ZZZZ=           -457.3423 XXXY=            -25.9744
 XXXZ=           -129.9720 YYYX=             32.3091 YYYZ=             11.2536 ZZZX=             19.5299
 ZZZY=             28.0197 XXYY=          -1073.4718 XXZZ=          -1100.9508 YYZZ=           -215.9172
 XXYZ=             93.7595 YYXZ=             32.0458 ZZXY=             48.8170
 N-N= 1.132644851740D+03 E-N=-4.054023071841D+03  KE= 7.634356997067D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep 29 13:56:11 2021, MaxMem=  8589934592 cpu:               6.0 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 7.85317116D-01-9.09046616D-01 4.60014775D-01
 Polarizability= 2.70359522D+02-1.56599650D+01 1.67802612D+02
                -7.41308291D+00-4.46928583D+00 1.13059248D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        4.1623    4.1602      -10.5923  -10.5937
 2     -4.1623   -4.1602        2.4314    2.4322      -62.3898  -62.3896
 3     10.5923   10.5937       93.6591   93.6600       -2.4291   -2.4322
 4     -2.4314   -2.4322       -0.0000    0.0000       10.5933   10.5937
 5    -31.2693  -31.2703      -10.5933  -10.5937        4.1558    4.1602
 6      2.4291    2.4322       -4.1558   -4.1602       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000      -12.4806  -12.4806      -31.7810  -31.7810
 2     -7.2965   -7.2965       -0.0000    0.0000      -31.7810  -31.7810
 3     -7.2965   -7.2965      -12.4806  -12.4806        0.0000    0.0000
 4    -12.4806  -12.4806        7.2965    7.2965     -187.1689 -187.1689
 5     31.7810   31.7810      280.9799  280.9799       -7.2965   -7.2965
 6    -93.8110  -93.8110      -31.7810  -31.7810       12.4806   12.4806
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0711    0.0000      -16.5486  -16.6408       42.0498   42.3746
 2     16.6526   16.6408       -9.6538   -9.7286      249.5221  249.5585
 3    -42.4872  -42.3746     -374.3679 -374.6399        9.4894    9.7286
 4      9.5972    9.7286        0.1243    0.0000      -42.4512  -42.3746
 5    124.9311  125.0814       42.6072   42.3746      -16.7594  -16.6408
 6     -9.6213   -9.7286       17.3006   16.6408       -0.0015    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.3251    0.0000      122.0263  121.8778       68.1476   68.0411
 2   -121.9334 -121.8778      -71.1434  -71.1629       32.3803   32.6617
 3    -67.9958  -68.0411      -35.3829  -34.9473       69.0349   71.1629
 4     71.2381   71.1629        0.0545    0.0000      -67.3249  -68.0411
 5      2.8417    2.2856       68.2849   68.0411      123.0181  121.8778
 6    -71.1610  -71.1629     -121.8629 -121.8778       -0.4546    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     66.0952   66.1875       52.8214   52.8510      -32.7237  -32.7816
 2    182.1539  182.1879      144.2795  144.0046      -32.6815  -32.7816
 3    182.1327  182.1879       53.1516   52.8510     -102.8551 -102.9269
 4    -91.2720  -91.1536     -115.4907 -116.0004       15.9047   16.4989
 5    -70.2340  -70.1453      -21.4327  -21.0424      116.1723  116.0004
 6      5.3013    4.5435       71.3947   70.1453       91.3575   91.1536
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.6532   -2.7523    0.0003    0.0005    0.0006    1.6950
 Low frequencies ---   13.8199   39.0318   49.3098
 Diagonal vibrational polarizability:
       46.2960990      24.0401293      36.5759428
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     13.7814                39.0304                49.3078
 Red. masses --      4.4733                 6.8440                 6.3200
 Frc consts  --      0.0005                 0.0061                 0.0091
 IR Inten    --      0.1492                 0.7172                 1.3348
 RamAct Fr= 1--      6.5242                 2.3807                 1.2332
  Dep-P Fr= 1--      0.7497                 0.7476                 0.7474
  Dep-U Fr= 1--      0.8569                 0.8556                 0.8554
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0001
 Beta2  Fr= 1--      0.9318                 0.3395                 0.1758
 AlphaG Fr= 1--      0.0016                 0.0011                -0.0032
 Gamma2 Fr= 1--     -0.8733                -2.6603                 2.6815
 Delta2 Fr= 1--     -0.6924                -0.8954                 0.4334
 Raman1 Fr= 1--      26.097                  9.523                  4.933
 ROA1   Fr= 1--    -105.997               -284.042                271.287
 CID1   Fr= 1--      -4.062                -29.828                 54.998
 Raman2 Fr= 1--      11.181                  4.074                  2.110
 ROA2   Fr= 1--     -15.420                -56.685                 60.888
 CID2   Fr= 1--      -1.379                -13.915                 28.860
 Raman3 Fr= 1--      22.363                  8.147                  4.219
 ROA3   Fr= 1--    -105.997               -284.042                271.287
 CID3   Fr= 1--      -4.740                -34.863                 64.294
 RC180  Fr= 1--       0.714                  0.711                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.02    -0.03   0.01  -0.01    -0.01  -0.02   0.04
     2   6     0.03   0.01   0.14    -0.02   0.01   0.07    -0.02  -0.01   0.07
     3   6    -0.02  -0.02  -0.11    -0.03   0.01   0.01     0.01  -0.00   0.06
     4   6    -0.01  -0.03  -0.07    -0.03   0.01   0.08     0.01   0.02   0.09
     5   6     0.02  -0.02   0.09    -0.02   0.01   0.14    -0.00   0.03   0.10
     6   6     0.04   0.00   0.18    -0.01   0.02   0.15    -0.02   0.01   0.11
     7   6    -0.03  -0.05  -0.16    -0.03   0.01   0.07     0.02   0.02   0.07
     8   6    -0.03  -0.06  -0.11    -0.03   0.00   0.07     0.01   0.03   0.03
     9   6     0.00  -0.05   0.04    -0.02   0.01   0.10    -0.00   0.04   0.01
    10   6     0.02  -0.03   0.13    -0.02   0.01   0.15    -0.01   0.04   0.07
    11   6     0.01  -0.06   0.06    -0.03  -0.01   0.01    -0.01   0.04  -0.07
    12   8    -0.01   0.01  -0.07    -0.05  -0.00  -0.12    -0.01  -0.04  -0.03
    13   6     0.02   0.03   0.03    -0.06  -0.01  -0.28    -0.04  -0.07  -0.24
    14   1     0.05   0.03   0.21    -0.02   0.01   0.06    -0.03  -0.01   0.07
    15   1    -0.04  -0.02  -0.23    -0.04   0.00  -0.05     0.02  -0.01   0.03
    16   1     0.06   0.01   0.30    -0.01   0.02   0.20    -0.03   0.02   0.13
    17   1    -0.06  -0.05  -0.28    -0.04   0.00   0.03     0.03   0.02   0.07
    18   1    -0.04  -0.07  -0.18    -0.04  -0.00   0.04     0.02   0.04  -0.00
    19   1     0.05  -0.02   0.24    -0.01   0.01   0.18    -0.01   0.04   0.07
    20   1     0.01  -0.06   0.18    -0.05  -0.02  -0.03    -0.03   0.04  -0.13
    21   6     0.01  -0.19  -0.02    -0.12  -0.02  -0.03    -0.09   0.09  -0.06
    22   6    -0.01   0.09   0.00     0.12  -0.01  -0.07     0.02  -0.03  -0.05
    23   1     0.00   0.04  -0.04    -0.07  -0.02  -0.41    -0.05  -0.10  -0.35
    24   1     0.01  -0.06   0.11    -0.19   0.01  -0.27    -0.19  -0.00  -0.27
    25   1     0.04   0.14   0.08     0.07  -0.04  -0.29     0.08  -0.15  -0.28
    26   1     0.04  -0.30   0.03    -0.20  -0.01   0.00    -0.13   0.11  -0.05
    27   1    -0.03  -0.20  -0.15    -0.09  -0.01   0.01    -0.08   0.08  -0.00
    28   1     0.01  -0.16  -0.01    -0.12  -0.05  -0.12    -0.09   0.09  -0.12
    29   8    -0.05   0.18   0.09     0.40   0.03  -0.22    -0.26  -0.13   0.05
    30   8     0.01   0.10  -0.16    -0.06  -0.04   0.04     0.37   0.02  -0.14
    31   1     0.00   0.19  -0.18     0.09  -0.03  -0.02     0.33  -0.03  -0.11
                      4                      5                      6
                      A                      A                      A
 Frequencies --     74.5962               115.8049               139.2808
 Red. masses --      3.9686                 5.1213                 3.8393
 Frc consts  --      0.0130                 0.0405                 0.0439
 IR Inten    --      2.0603                 0.7265                 0.6041
 RamAct Fr= 1--      1.2965                 0.6905                 2.4710
  Dep-P Fr= 1--      0.7459                 0.5711                 0.5971
  Dep-U Fr= 1--      0.8545                 0.7270                 0.7477
 Alpha2 Fr= 1--      0.0001                 0.0023                 0.0070
 Beta2  Fr= 1--      0.1846                 0.0837                 0.3079
 AlphaG Fr= 1--      0.0034                -0.0256                 0.0209
 Gamma2 Fr= 1--     -0.9716                -1.3083                 2.9508
 Delta2 Fr= 1--      0.1026                -0.7738                 1.9679
 Raman1 Fr= 1--       5.186                  2.762                  9.884
 ROA1   Fr= 1--     -89.988               -150.360                346.248
 CID1   Fr= 1--     -17.352                -54.442                 35.031
 Raman2 Fr= 1--       2.216                  1.004                  3.695
 ROA2   Fr= 1--     -24.139                -25.209                 55.075
 CID2   Fr= 1--     -10.894                -25.111                 14.904
 Raman3 Fr= 1--       4.431                  2.008                  7.391
 ROA3   Fr= 1--     -89.988               -150.360                346.248
 CID3   Fr= 1--     -20.307                -74.885                 46.849
 RC180  Fr= 1--       0.709                  0.454                  0.495
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.13    -0.05  -0.00   0.04    -0.01   0.01   0.01
     2   6    -0.04  -0.02  -0.11    -0.08  -0.00  -0.04    -0.04   0.04   0.08
     3   6    -0.03  -0.01  -0.09    -0.04   0.01  -0.06     0.03   0.06   0.04
     4   6    -0.02   0.01  -0.01    -0.05   0.03  -0.12     0.02   0.10   0.05
     5   6    -0.03   0.01   0.01    -0.06   0.04  -0.09     0.00   0.10   0.01
     6   6    -0.04  -0.00  -0.04    -0.09   0.02  -0.11    -0.04   0.08   0.07
     7   6    -0.01   0.02   0.06    -0.05   0.03  -0.16     0.01   0.10   0.07
     8   6    -0.01   0.03   0.11    -0.05   0.05  -0.07    -0.00   0.09   0.01
     9   6    -0.01   0.03   0.09    -0.03   0.06   0.04    -0.00   0.08  -0.07
    10   6    -0.02   0.02   0.06    -0.04   0.06  -0.01     0.01   0.09  -0.07
    11   6    -0.02   0.01   0.03    -0.01  -0.02   0.11     0.02  -0.04  -0.03
    12   8    -0.04  -0.04  -0.20    -0.02  -0.03   0.25    -0.00  -0.09  -0.12
    13   6    -0.01  -0.00   0.25    -0.10  -0.10  -0.03    -0.08  -0.16   0.03
    14   1    -0.05  -0.02  -0.15    -0.10  -0.01  -0.02    -0.06   0.02   0.11
    15   1    -0.02  -0.01  -0.10    -0.01   0.00  -0.03     0.07   0.04   0.02
    16   1    -0.05   0.00  -0.04    -0.12   0.03  -0.13    -0.08   0.10   0.10
    17   1    -0.01   0.02   0.06    -0.06   0.03  -0.22     0.01   0.11   0.12
    18   1    -0.00   0.03   0.14    -0.05   0.05  -0.08    -0.00   0.09   0.03
    19   1    -0.02   0.02   0.05    -0.03   0.06   0.03     0.02   0.09  -0.11
    20   1    -0.04   0.00   0.01    -0.07  -0.05   0.16    -0.07  -0.09   0.06
    21   6    -0.07   0.00   0.01     0.09  -0.12   0.07     0.21  -0.17  -0.05
    22   6     0.08  -0.00  -0.00     0.10  -0.00   0.06    -0.02  -0.05  -0.02
    23   1     0.00  -0.00   0.33    -0.07  -0.13   0.08    -0.05  -0.26  -0.09
    24   1     0.19  -0.22   0.40    -0.17   0.13  -0.22    -0.17  -0.29   0.16
    25   1    -0.19   0.24   0.39    -0.12  -0.35  -0.18    -0.09   0.01   0.13
    26   1    -0.13   0.01   0.03     0.09  -0.15   0.09     0.25  -0.20  -0.05
    27   1    -0.04   0.01   0.03     0.16  -0.09   0.00     0.31  -0.12  -0.16
    28   1    -0.07  -0.02  -0.05     0.10  -0.20   0.11     0.23  -0.30   0.05
    29   8     0.07  -0.03  -0.01     0.16   0.00   0.03    -0.03  -0.05  -0.01
    30   8     0.19   0.01  -0.02     0.21   0.01   0.02    -0.07  -0.06  -0.00
    31   1     0.25   0.00  -0.05     0.32   0.03  -0.04    -0.10  -0.05   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    182.3410               195.6067               231.0924
 Red. masses --      3.1684                 3.3765                 1.7281
 Frc consts  --      0.0621                 0.0761                 0.0544
 IR Inten    --      0.8368                 0.5546                 0.9944
 RamAct Fr= 1--      0.0671                 2.6276                 0.5919
  Dep-P Fr= 1--      0.7328                 0.6993                 0.2614
  Dep-U Fr= 1--      0.8458                 0.8230                 0.4144
 Alpha2 Fr= 1--      0.0000                 0.0023                 0.0068
 Beta2  Fr= 1--      0.0095                 0.3604                 0.0409
 AlphaG Fr= 1--     -0.0019                -0.0175                 0.0024
 Gamma2 Fr= 1--      0.2379                -3.1219                 0.3900
 Delta2 Fr= 1--      0.0277                -1.8691                 0.0875
 Raman1 Fr= 1--       0.268                 10.510                  2.368
 ROA1   Fr= 1--      23.727               -359.513                 40.235
 CID1   Fr= 1--      88.445                -34.206                 16.993
 Raman2 Fr= 1--       0.113                  4.325                  0.491
 ROA2   Fr= 1--       5.488                -59.972                  8.659
 CID2   Fr= 1--      48.375                -13.866                 17.649
 Raman3 Fr= 1--       0.227                  8.650                  0.981
 ROA3   Fr= 1--      23.727               -359.513                 40.235
 CID3   Fr= 1--     104.566                -41.560                 41.002
 RC180  Fr= 1--       0.692                  0.646                 -0.171
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.02    -0.05  -0.03   0.05     0.02   0.07   0.01
     2   6     0.01   0.00   0.21    -0.04  -0.05  -0.00     0.03   0.06  -0.00
     3   6    -0.04  -0.04  -0.14    -0.04  -0.04   0.19     0.01   0.06   0.01
     4   6    -0.03  -0.04  -0.11    -0.04  -0.05   0.11     0.00   0.03  -0.00
     5   6    -0.03  -0.04  -0.14    -0.04  -0.06   0.02     0.02   0.02  -0.02
     6   6    -0.01  -0.02   0.05    -0.04  -0.06  -0.00     0.04   0.04  -0.03
     7   6     0.00  -0.01   0.06    -0.01  -0.03  -0.01    -0.03  -0.00  -0.00
     8   6     0.01   0.01   0.17    -0.02  -0.02  -0.14    -0.03  -0.05  -0.00
     9   6    -0.01  -0.01  -0.02    -0.02  -0.01  -0.10    -0.00  -0.06   0.00
    10   6    -0.04  -0.04  -0.20    -0.05  -0.03  -0.05     0.03  -0.04  -0.02
    11   6    -0.00   0.01   0.01     0.01   0.02   0.01    -0.00  -0.03   0.02
    12   8    -0.03   0.02   0.01    -0.09   0.02  -0.10     0.04  -0.00  -0.01
    13   6     0.01   0.05  -0.02     0.00   0.11  -0.01    -0.07  -0.11   0.02
    14   1     0.04   0.03   0.44    -0.03  -0.05  -0.07     0.03   0.07   0.01
    15   1    -0.05  -0.04  -0.20    -0.04  -0.03   0.24    -0.01   0.07   0.02
    16   1     0.01  -0.01   0.14    -0.04  -0.07  -0.05     0.06   0.03  -0.04
    17   1     0.02  -0.01   0.17     0.02  -0.05  -0.02    -0.08   0.01   0.00
    18   1     0.04   0.03   0.38    -0.03  -0.03  -0.24    -0.05  -0.07   0.00
    19   1    -0.06  -0.04  -0.30    -0.08  -0.02  -0.05     0.06  -0.05  -0.02
    20   1     0.01   0.02   0.00     0.01   0.02   0.02     0.04  -0.01  -0.02
    21   6     0.03   0.04   0.03     0.18   0.07   0.09    -0.06   0.05   0.05
    22   6     0.01   0.01   0.01     0.02   0.02   0.01     0.00  -0.02   0.01
    23   1    -0.04   0.06  -0.31    -0.05   0.17  -0.17    -0.04  -0.23  -0.12
    24   1    -0.15  -0.09   0.14     0.01  -0.04   0.12    -0.23  -0.17   0.11
    25   1     0.23   0.20   0.07     0.13   0.27   0.08    -0.05  -0.00   0.08
    26   1     0.06   0.06   0.01     0.48   0.02  -0.01     0.33  -0.14  -0.00
    27   1     0.03   0.04   0.04     0.03   0.01  -0.01    -0.48  -0.12  -0.08
    28   1     0.03   0.04   0.07     0.19   0.22   0.36    -0.08   0.50   0.27
    29   8     0.03   0.02  -0.00     0.07   0.04  -0.01     0.03   0.01   0.02
    30   8     0.05   0.02  -0.01     0.08   0.03  -0.02     0.00  -0.02  -0.04
    31   1     0.08   0.02  -0.02     0.16   0.04  -0.06     0.02   0.02  -0.06
                     10                     11                     12
                      A                      A                      A
 Frequencies --    232.5516               248.2345               271.7265
 Red. masses --      1.3354                 1.7323                 2.5185
 Frc consts  --      0.0425                 0.0629                 0.1096
 IR Inten    --      0.2266                 0.2440                 0.8921
 RamAct Fr= 1--      1.6402                 1.1280                 1.6041
  Dep-P Fr= 1--      0.6491                 0.3319                 0.6846
  Dep-U Fr= 1--      0.7872                 0.4984                 0.8128
 Alpha2 Fr= 1--      0.0030                 0.0105                 0.0018
 Beta2  Fr= 1--      0.2152                 0.0937                 0.2173
 AlphaG Fr= 1--      0.0069                -0.0091                 0.0192
 Gamma2 Fr= 1--      1.3315                -0.0979                 0.8992
 Delta2 Fr= 1--      0.0643                 0.4452                 0.0217
 Raman1 Fr= 1--       6.561                  4.512                  6.416
 ROA1   Fr= 1--     129.883                  4.854                 87.017
 CID1   Fr= 1--      19.797                  1.076                 13.562
 Raman2 Fr= 1--       2.582                  1.124                  2.608
 ROA2   Fr= 1--      31.442                 -5.910                 21.407
 CID2   Fr= 1--      12.176                 -5.257                  8.209
 Raman3 Fr= 1--       5.165                  2.249                  5.215
 ROA3   Fr= 1--     129.883                  4.854                 87.017
 CID3   Fr= 1--      25.149                  2.158                 16.685
 RC180  Fr= 1--       0.574                 -0.003                  0.626
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.04    -0.01   0.04  -0.01     0.02   0.02   0.05
     2   6    -0.01  -0.02   0.00     0.01   0.03   0.02     0.03   0.03   0.09
     3   6    -0.02  -0.02  -0.08    -0.01   0.03  -0.00     0.02   0.02   0.11
     4   6    -0.01  -0.01  -0.01    -0.01   0.00   0.01     0.01  -0.00   0.02
     5   6    -0.01  -0.00   0.04     0.01  -0.01   0.01    -0.00  -0.01  -0.07
     6   6    -0.01  -0.01   0.05     0.02   0.01   0.03     0.02   0.01   0.02
     7   6     0.01   0.01   0.04    -0.03  -0.01   0.02    -0.01  -0.01  -0.03
     8   6     0.01   0.02   0.05    -0.02  -0.04   0.00    -0.01  -0.02  -0.05
     9   6     0.00   0.02  -0.01     0.00  -0.05  -0.02    -0.01  -0.02  -0.04
    10   6    -0.01   0.01   0.03     0.01  -0.04  -0.03    -0.01  -0.03  -0.14
    11   6     0.00   0.01  -0.02     0.01  -0.04  -0.01    -0.02   0.03   0.04
    12   8    -0.02   0.00   0.02    -0.00   0.01  -0.03     0.01  -0.01  -0.12
    13   6     0.01   0.03  -0.00    -0.07  -0.05   0.01    -0.01  -0.02  -0.01
    14   1    -0.01  -0.02  -0.00     0.02   0.04   0.01     0.03   0.03   0.11
    15   1    -0.01  -0.03  -0.11    -0.03   0.04  -0.01     0.01   0.03   0.13
    16   1    -0.01   0.00   0.09     0.04   0.01   0.05     0.03   0.00   0.03
    17   1     0.03   0.00   0.06    -0.05  -0.00   0.03    -0.02  -0.01  -0.03
    18   1     0.02   0.03   0.08    -0.04  -0.06   0.01    -0.01  -0.02  -0.05
    19   1    -0.02   0.02   0.03     0.03  -0.05  -0.05    -0.01  -0.04  -0.20
    20   1    -0.00   0.00  -0.02     0.02  -0.03  -0.06     0.02   0.04   0.09
    21   6     0.07   0.01  -0.00     0.06   0.10   0.09    -0.11  -0.07  -0.05
    22   6    -0.01  -0.01  -0.02     0.00  -0.03  -0.01     0.00   0.05   0.05
    23   1     0.04   0.10   0.41    -0.00  -0.09   0.33     0.05  -0.00   0.47
    24   1     0.26   0.25  -0.26     0.08   0.11  -0.16     0.28   0.17  -0.25
    25   1    -0.24  -0.24  -0.16    -0.32  -0.22  -0.09    -0.37  -0.25  -0.14
    26   1     0.41  -0.16  -0.06    -0.21   0.41   0.03    -0.15  -0.19   0.03
    27   1    -0.20  -0.10  -0.18     0.36   0.22   0.37    -0.15  -0.09  -0.14
    28   1     0.06   0.29   0.24     0.07  -0.20  -0.03    -0.12  -0.03  -0.14
    29   8    -0.01  -0.02  -0.03     0.03   0.04   0.03     0.01   0.00   0.01
    30   8    -0.01  -0.01  -0.02    -0.01  -0.02  -0.10     0.06   0.05   0.13
    31   1    -0.01  -0.01  -0.02    -0.02   0.05  -0.12     0.12  -0.02   0.13
                     13                     14                     15
                      A                      A                      A
 Frequencies --    304.4287               350.6857               394.0340
 Red. masses --      4.1539                 4.9942                 5.2777
 Frc consts  --      0.2268                 0.3619                 0.4828
 IR Inten    --      0.3516                 1.1133                 0.5238
 RamAct Fr= 1--     10.6026                10.8778                 0.4931
  Dep-P Fr= 1--      0.1183                 0.2267                 0.7404
  Dep-U Fr= 1--      0.2115                 0.3696                 0.8508
 Alpha2 Fr= 1--      0.1775                 0.1375                 0.0001
 Beta2  Fr= 1--      0.3738                 0.6701                 0.0699
 AlphaG Fr= 1--      0.1058                 0.0038                 0.0046
 Gamma2 Fr= 1--     -0.1147                 0.4791                -0.7406
 Delta2 Fr= 1--     -0.6101                 0.5972                -0.9211
 Raman1 Fr= 1--      42.410                 43.511                  1.972
 ROA1   Fr= 1--     -30.534                 65.103               -100.576
 CID1   Fr= 1--      -0.720                  1.496                -50.993
 Raman2 Fr= 1--       4.485                  8.041                  0.839
 ROA2   Fr= 1--       2.128                  6.721                -10.407
 CID2   Fr= 1--       0.474                  0.836                -12.403
 Raman3 Fr= 1--       8.971                 16.081                  1.678
 ROA3   Fr= 1--     -30.534                 65.103               -100.576
 CID3   Fr= 1--      -3.404                  4.048                -59.935
 RC180  Fr= 1--      -0.577                 -0.261                  0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.09   0.05     0.10   0.03  -0.06     0.07   0.07   0.15
     2   6    -0.04  -0.05   0.06     0.03   0.06  -0.05     0.05   0.06   0.08
     3   6     0.08  -0.03   0.07     0.03   0.01  -0.07     0.01   0.01   0.16
     4   6     0.03   0.08  -0.02    -0.01   0.01   0.03    -0.02  -0.10  -0.11
     5   6    -0.02   0.10  -0.06    -0.04   0.02   0.05    -0.04  -0.08  -0.08
     6   6    -0.07   0.05  -0.01     0.03   0.06   0.03     0.03  -0.04  -0.12
     7   6    -0.02   0.07  -0.05    -0.10  -0.05   0.08     0.02  -0.08  -0.20
     8   6    -0.03   0.06  -0.01    -0.12  -0.08  -0.01     0.04   0.06   0.17
     9   6    -0.05   0.06   0.03    -0.15  -0.07  -0.05    -0.02   0.09   0.23
    10   6    -0.02   0.09  -0.06    -0.08  -0.03   0.01    -0.06   0.04   0.13
    11   6    -0.06  -0.09   0.06    -0.19   0.03   0.03    -0.06   0.05   0.02
    12   8     0.04  -0.11  -0.05     0.17  -0.07   0.03     0.05   0.04  -0.11
    13   6     0.23   0.05  -0.03     0.21  -0.08  -0.01    -0.02  -0.03  -0.01
    14   1    -0.08  -0.10   0.09     0.00   0.04  -0.06     0.06   0.06   0.07
    15   1     0.16  -0.06   0.08    -0.02   0.04  -0.08    -0.08   0.05   0.20
    16   1    -0.15   0.08  -0.02     0.08   0.05   0.04     0.11  -0.08  -0.21
    17   1    -0.05   0.08  -0.08    -0.17  -0.01   0.13     0.08  -0.13  -0.38
    18   1    -0.02   0.08  -0.02    -0.10  -0.07  -0.02     0.11   0.12   0.24
    19   1     0.00   0.08  -0.08    -0.01  -0.05   0.02    -0.13   0.06   0.11
    20   1    -0.13  -0.11  -0.01    -0.14   0.04   0.13    -0.13   0.02   0.02
    21   6    -0.12   0.01   0.12     0.07  -0.02   0.10     0.08   0.00   0.05
    22   6    -0.00  -0.10   0.03    -0.14   0.08  -0.02    -0.04   0.01  -0.07
    23   1     0.15   0.25   0.08     0.18  -0.03  -0.08     0.04  -0.12   0.11
    24   1     0.43   0.07  -0.10     0.19  -0.09   0.01     0.00  -0.01  -0.04
    25   1     0.25  -0.02  -0.07     0.29  -0.06   0.00    -0.18  -0.04  -0.02
    26   1    -0.07   0.03   0.09     0.13   0.08   0.02     0.20   0.01  -0.01
    27   1    -0.23  -0.04   0.20     0.26   0.06   0.06     0.15   0.04  -0.03
    28   1    -0.13   0.15   0.12     0.10  -0.22   0.29     0.10  -0.08   0.22
    29   8     0.05   0.01   0.08    -0.03  -0.01  -0.17    -0.06  -0.08  -0.13
    30   8    -0.05  -0.10  -0.16     0.06   0.11   0.07    -0.04   0.01  -0.07
    31   1    -0.04   0.06  -0.22     0.35   0.00  -0.02    -0.07   0.04  -0.07
                     16                     17                     18
                      A                      A                      A
 Frequencies --    417.0250               422.8950               468.1367
 Red. masses --      3.3019                 4.3421                 4.8720
 Frc consts  --      0.3383                 0.4575                 0.6291
 IR Inten    --      0.0888                 0.8879                 3.3294
 RamAct Fr= 1--      2.3497                 0.6106                 1.6350
  Dep-P Fr= 1--      0.7427                 0.2960                 0.1558
  Dep-U Fr= 1--      0.8523                 0.4568                 0.2696
 Alpha2 Fr= 1--      0.0003                 0.0063                 0.0249
 Beta2  Fr= 1--      0.3338                 0.0465                 0.0735
 AlphaG Fr= 1--     -0.0015                -0.0065                 0.0144
 Gamma2 Fr= 1--     -0.5532                -0.6060                 0.4639
 Delta2 Fr= 1--      0.1376                 0.3140                 0.0072
 Raman1 Fr= 1--       9.399                  2.443                  6.540
 ROA1   Fr= 1--     -48.703                -48.129                 44.763
 CID1   Fr= 1--      -5.182                -19.704                  6.844
 Raman2 Fr= 1--       4.005                  0.558                  0.882
 ROA2   Fr= 1--     -14.378                -17.056                 11.075
 CID2   Fr= 1--      -3.590                -30.575                 12.561
 Raman3 Fr= 1--       8.011                  1.116                  1.763
 ROA3   Fr= 1--     -48.703                -48.129                 44.763
 CID3   Fr= 1--      -6.080                -43.139                 25.384
 RC180  Fr= 1--       0.705                 -0.086                 -0.461
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.10     0.08   0.06  -0.07     0.02   0.11   0.01
     2   6    -0.01  -0.01  -0.20     0.06   0.06  -0.02    -0.05   0.14  -0.00
     3   6     0.01   0.01   0.10    -0.02  -0.04  -0.07    -0.10   0.05   0.02
     4   6    -0.00  -0.02  -0.03     0.01  -0.15   0.08    -0.13  -0.07   0.00
     5   6     0.00  -0.00   0.09    -0.06  -0.12   0.04    -0.12  -0.07   0.03
     6   6     0.03   0.02   0.24     0.06  -0.06   0.02    -0.03   0.01  -0.01
     7   6    -0.01  -0.02  -0.17     0.12  -0.07   0.10    -0.10  -0.04  -0.02
     8   6     0.02   0.03   0.13     0.05   0.14  -0.13    -0.08   0.02   0.04
     9   6    -0.00   0.02   0.01    -0.07   0.17  -0.09    -0.01   0.02   0.01
    10   6    -0.03  -0.01  -0.17    -0.13   0.09  -0.05    -0.11  -0.06   0.04
    11   6    -0.01   0.00   0.01    -0.09   0.01   0.06     0.09   0.05  -0.11
    12   8     0.01   0.01   0.05     0.10   0.11   0.01     0.10  -0.08  -0.01
    13   6    -0.00  -0.00   0.01    -0.05  -0.03   0.01     0.18  -0.09  -0.01
    14   1    -0.03  -0.03  -0.32     0.07   0.07   0.01    -0.02   0.16  -0.03
    15   1     0.02   0.03   0.31    -0.17   0.01  -0.09    -0.26   0.11   0.02
    16   1     0.06   0.04   0.45     0.20  -0.11   0.03     0.09  -0.04  -0.05
    17   1    -0.01  -0.05  -0.34     0.30  -0.12   0.16    -0.05  -0.06  -0.04
    18   1     0.04   0.05   0.26     0.18   0.24  -0.23    -0.10  -0.00   0.06
    19   1    -0.07  -0.02  -0.40    -0.28   0.15  -0.02    -0.19  -0.03   0.02
    20   1    -0.02  -0.00   0.00    -0.21  -0.04   0.04     0.04   0.03  -0.23
    21   6    -0.01  -0.00   0.01    -0.08  -0.05   0.05     0.07   0.07  -0.20
    22   6     0.00  -0.00   0.00    -0.02  -0.06   0.06     0.14  -0.04   0.02
    23   1    -0.01  -0.03  -0.09     0.03  -0.21  -0.00     0.14   0.01  -0.01
    24   1    -0.08  -0.02   0.05    -0.18  -0.01   0.03     0.24  -0.09  -0.02
    25   1     0.05   0.03   0.03    -0.14  -0.01   0.02     0.23  -0.09  -0.01
    26   1    -0.00  -0.01   0.01    -0.10  -0.10   0.09     0.07   0.01  -0.16
    27   1    -0.01  -0.01  -0.00    -0.10  -0.06   0.01     0.05   0.07  -0.26
    28   1    -0.01   0.01   0.01    -0.08  -0.04   0.01     0.07   0.08  -0.23
    29   8     0.00  -0.00   0.00     0.05  -0.00   0.06     0.05   0.07   0.18
    30   8    -0.00  -0.01  -0.01    -0.01  -0.06  -0.06     0.01  -0.08   0.02
    31   1     0.00   0.01  -0.01     0.10   0.07  -0.15    -0.30  -0.10   0.16
                     19                     20                     21
                      A                      A                      A
 Frequencies --    483.1789               535.1604               557.3698
 Red. masses --      2.5469                 6.3494                 3.3755
 Frc consts  --      0.3503                 1.0714                 0.6178
 IR Inten    --     14.5977                 2.4527                 6.3802
 RamAct Fr= 1--      0.0806                20.0487                 7.1652
  Dep-P Fr= 1--      0.7278                 0.3689                 0.1612
  Dep-U Fr= 1--      0.8425                 0.5390                 0.2776
 Alpha2 Fr= 1--      0.0000                 0.1654                 0.1077
 Beta2  Fr= 1--      0.0113                 1.8011                 0.3315
 AlphaG Fr= 1--     -0.0009                 0.1265                -0.0928
 Gamma2 Fr= 1--      0.2120                 0.0108                 0.2451
 Delta2 Fr= 1--      0.1051                 0.2483                -0.0091
 Raman1 Fr= 1--       0.322                 80.195                 28.661
 ROA1   Fr= 1--      23.717                  8.980                 23.235
 CID1   Fr= 1--      73.545                  0.112                  0.811
 Raman2 Fr= 1--       0.136                 21.613                  3.978
 ROA2   Fr= 1--       4.248                 -1.728                  5.954
 CID2   Fr= 1--      31.269                 -0.080                  1.497
 Raman3 Fr= 1--       0.272                 43.227                  7.957
 ROA3   Fr= 1--      23.717                  8.980                 23.235
 CID3   Fr= 1--      87.295                  0.208                  2.920
 RC180  Fr= 1--       0.685                  0.078                 -0.445
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.07    -0.06   0.12  -0.04     0.08  -0.04   0.11
     2   6     0.00   0.00   0.05    -0.27   0.21   0.01    -0.04  -0.04  -0.01
     3   6    -0.01  -0.01  -0.12     0.07   0.17  -0.03     0.09  -0.06   0.01
     4   6     0.02   0.02   0.19     0.13  -0.05   0.02     0.07   0.00  -0.10
     5   6     0.02   0.02   0.20    -0.12   0.02  -0.01    -0.03   0.07   0.05
     6   6    -0.01  -0.01  -0.10    -0.23   0.06   0.02    -0.07   0.07  -0.01
     7   6    -0.01  -0.01  -0.10     0.25  -0.10   0.00     0.04  -0.04  -0.04
     8   6     0.01   0.00   0.05     0.27  -0.16  -0.04     0.05  -0.08   0.07
     9   6     0.00   0.00   0.04     0.04  -0.07   0.03    -0.08  -0.05  -0.11
    10   6    -0.01  -0.01  -0.11    -0.07  -0.11  -0.00    -0.04  -0.00   0.06
    11   6    -0.00   0.00   0.00     0.02   0.01   0.05    -0.10   0.01  -0.08
    12   8    -0.00  -0.00  -0.01    -0.04  -0.06   0.02     0.04   0.10  -0.04
    13   6    -0.00   0.00  -0.00     0.05   0.02  -0.01    -0.06   0.04  -0.00
    14   1    -0.01  -0.01  -0.12    -0.25   0.22   0.05    -0.16  -0.15  -0.18
    15   1    -0.04  -0.05  -0.49    -0.06   0.22   0.00     0.14  -0.09  -0.08
    16   1    -0.05  -0.04  -0.46    -0.16   0.05   0.06    -0.14   0.08  -0.15
    17   1    -0.04  -0.04  -0.42     0.24  -0.10  -0.01    -0.03   0.00   0.09
    18   1    -0.00  -0.01  -0.05     0.33  -0.11  -0.10     0.11  -0.03   0.29
    19   1    -0.04  -0.04  -0.45     0.00  -0.14  -0.02     0.06  -0.03   0.15
    20   1     0.00   0.00   0.00     0.06   0.03   0.08    -0.10   0.02  -0.15
    21   6    -0.00  -0.00   0.00    -0.01  -0.03   0.05     0.02   0.03  -0.10
    22   6     0.00   0.00  -0.00    -0.01   0.01   0.01    -0.07  -0.06   0.04
    23   1    -0.00   0.00   0.00    -0.01   0.15  -0.01     0.01  -0.11   0.01
    24   1     0.00  -0.00   0.00     0.13   0.01  -0.02    -0.15   0.04   0.02
    25   1    -0.01   0.01   0.00     0.14   0.01  -0.01    -0.17   0.06   0.01
    26   1     0.01  -0.01   0.00    -0.05  -0.06   0.08     0.06   0.03  -0.11
    27   1     0.00   0.00  -0.00    -0.01  -0.03   0.04     0.09   0.06  -0.16
    28   1    -0.00   0.00   0.02    -0.02  -0.04   0.01     0.03  -0.05  -0.01
    29   8    -0.00  -0.00  -0.00    -0.01  -0.06  -0.04     0.04   0.10   0.09
    30   8    -0.00   0.00  -0.00    -0.02   0.01  -0.04     0.01  -0.07   0.05
    31   1    -0.02   0.00   0.01    -0.03   0.10  -0.06     0.56  -0.09  -0.17
                     22                     23                     24
                      A                      A                      A
 Frequencies --    577.8960               596.4236               617.4476
 Red. masses --      2.8086                 1.8152                 3.4111
 Frc consts  --      0.5526                 0.3804                 0.7662
 IR Inten    --     42.0122                60.6067                24.2823
 RamAct Fr= 1--      4.7945                 3.0170                 1.9969
  Dep-P Fr= 1--      0.3564                 0.7494                 0.6788
  Dep-U Fr= 1--      0.5255                 0.8568                 0.8087
 Alpha2 Fr= 1--      0.0412                 0.0000                 0.0025
 Beta2  Fr= 1--      0.4199                 0.4308                 0.2691
 AlphaG Fr= 1--      0.1158                -0.0011                -0.0310
 Gamma2 Fr= 1--      0.8215                 0.2350                 0.4941
 Delta2 Fr= 1--     -0.4513                -0.9089                 0.6126
 Raman1 Fr= 1--      19.178                 12.068                  7.988
 ROA1   Fr= 1--      64.419                 -6.523                 67.038
 CID1   Fr= 1--       3.359                 -0.540                  8.393
 Raman2 Fr= 1--       5.039                  5.170                  3.230
 ROA2   Fr= 1--      23.326                 12.912                  6.958
 CID2   Fr= 1--       4.629                  2.498                  2.154
 Raman3 Fr= 1--      10.077                 10.339                  6.459
 ROA3   Fr= 1--      64.419                 -6.523                 67.038
 CID3   Fr= 1--       6.392                 -0.631                 10.378
 RC180  Fr= 1--       0.051                  0.714                  0.617
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.08   0.13    -0.03  -0.01  -0.11    -0.05   0.02  -0.11
     2   6     0.01   0.05  -0.03     0.03  -0.00   0.03    -0.01   0.02   0.04
     3   6    -0.04   0.11  -0.01     0.00   0.02   0.01     0.07   0.10   0.00
     4   6    -0.02  -0.03  -0.08     0.01   0.02   0.07     0.10  -0.02   0.05
     5   6     0.08  -0.06   0.06     0.02  -0.01  -0.05     0.07  -0.02  -0.04
     6   6     0.07  -0.10   0.01     0.03  -0.02  -0.03     0.01  -0.08  -0.03
     7   6     0.01  -0.01  -0.03    -0.01  -0.00   0.01     0.01  -0.12  -0.00
     8   6     0.01   0.07   0.03    -0.01  -0.02  -0.00    -0.02  -0.01   0.02
     9   6     0.03   0.03  -0.14     0.01   0.00   0.10    -0.07   0.04   0.06
    10   6     0.07   0.04   0.02     0.02  -0.01  -0.00     0.04   0.11   0.00
    11   6     0.01  -0.03  -0.00    -0.03   0.09   0.00    -0.11  -0.10  -0.09
    12   8    -0.10  -0.13  -0.00    -0.03  -0.03   0.03    -0.06  -0.05   0.03
    13   6     0.04  -0.02  -0.01    -0.00   0.00   0.00    -0.02   0.02   0.00
    14   1     0.14   0.15  -0.30     0.08   0.04   0.25     0.10   0.11   0.26
    15   1    -0.10   0.12  -0.13     0.03   0.03   0.12     0.10   0.11   0.13
    16   1     0.10  -0.13  -0.16     0.04  -0.00   0.12     0.04  -0.07   0.10
    17   1     0.10  -0.02   0.15    -0.05  -0.01  -0.17    -0.01  -0.13  -0.18
    18   1     0.05   0.11   0.27    -0.03  -0.05  -0.19     0.07   0.06  -0.15
    19   1     0.02   0.08   0.14     0.03  -0.02  -0.11     0.05   0.09  -0.09
    20   1     0.02  -0.03   0.04    -0.01   0.10  -0.05    -0.18  -0.12  -0.12
    21   6    -0.02  -0.01   0.02     0.03   0.04  -0.08    -0.01  -0.01  -0.00
    22   6    -0.07  -0.01   0.03    -0.04  -0.02   0.06    -0.02  -0.03  -0.11
    23   1    -0.06   0.18  -0.02    -0.02   0.05   0.00    -0.06   0.10   0.00
    24   1     0.18  -0.05  -0.02     0.02   0.01  -0.01     0.03   0.02  -0.01
    25   1     0.16  -0.02  -0.01     0.04  -0.01  -0.00     0.05  -0.00  -0.01
    26   1    -0.07   0.00   0.03     0.04  -0.06  -0.03     0.13   0.14  -0.15
    27   1    -0.06  -0.03   0.08     0.10   0.08  -0.24     0.03   0.00   0.09
    28   1    -0.03   0.03  -0.04     0.04  -0.06  -0.05     0.01  -0.00   0.20
    29   8     0.00   0.01  -0.01     0.02  -0.03   0.03    -0.02   0.17   0.02
    30   8    -0.02  -0.00   0.02    -0.06  -0.03  -0.02     0.08  -0.06   0.08
    31   1     0.54   0.06  -0.24     0.66   0.21  -0.40    -0.16  -0.48   0.33
                     25                     26                     27
                      A                      A                      A
 Frequencies --    636.6200               684.9949               691.9348
 Red. masses --      2.5507                 3.3633                 4.8409
 Frc consts  --      0.6091                 0.9298                 1.3656
 IR Inten    --     14.2091                21.1621                 5.0547
 RamAct Fr= 1--      2.2464                 0.4928                 2.7452
  Dep-P Fr= 1--      0.7483                 0.6392                 0.0870
  Dep-U Fr= 1--      0.8560                 0.7799                 0.1601
 Alpha2 Fr= 1--      0.0001                 0.0010                 0.0496
 Beta2  Fr= 1--      0.3205                 0.0641                 0.0733
 AlphaG Fr= 1--      0.0044                 0.0374                 0.0558
 Gamma2 Fr= 1--     -0.0197                -0.5121                 0.1900
 Delta2 Fr= 1--     -0.3243                -0.0072                -0.0238
 Raman1 Fr= 1--       8.986                  1.971                 10.981
 ROA1   Fr= 1--     -12.270                -49.393                 17.479
 CID1   Fr= 1--      -1.366                -25.059                  1.592
 Raman2 Fr= 1--       3.846                  0.769                  0.879
 ROA2   Fr= 1--       2.121                -12.233                  4.751
 CID2   Fr= 1--       0.551                -15.915                  5.404
 Raman3 Fr= 1--       7.692                  1.537                  1.758
 ROA3   Fr= 1--     -12.270                -49.393                 17.479
 CID3   Fr= 1--      -1.595                -32.130                  9.941
 RC180  Fr= 1--       0.712                  0.560                 -0.680
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.07     0.03   0.03   0.22    -0.03  -0.01   0.09
     2   6    -0.02   0.02   0.03    -0.05  -0.02  -0.10     0.17   0.03  -0.06
     3   6    -0.07  -0.07   0.03     0.02   0.01  -0.07    -0.11  -0.08  -0.01
     4   6    -0.07  -0.01   0.04     0.02  -0.02  -0.05    -0.07   0.04  -0.01
     5   6    -0.06  -0.01  -0.00     0.00  -0.01  -0.10    -0.06   0.01  -0.04
     6   6    -0.04   0.04  -0.03    -0.03  -0.03   0.14     0.17   0.17   0.01
     7   6     0.03   0.09  -0.03    -0.02  -0.04   0.12     0.13   0.20   0.01
     8   6     0.04   0.06   0.02    -0.05  -0.01  -0.09     0.16  -0.01  -0.05
     9   6     0.08   0.00   0.00     0.02   0.03   0.23     0.01  -0.03   0.09
    10   6    -0.02  -0.05   0.02     0.01   0.03  -0.08    -0.09  -0.15   0.01
    11   6     0.11  -0.15  -0.05     0.03  -0.03  -0.01    -0.14   0.05  -0.01
    12   8     0.05   0.04   0.00     0.02   0.02  -0.03    -0.11  -0.11   0.01
    13   6     0.03  -0.02   0.00     0.00   0.00  -0.00    -0.02  -0.00   0.00
    14   1    -0.06  -0.01   0.19    -0.09  -0.05  -0.46     0.16   0.02  -0.18
    15   1    -0.11  -0.04   0.11    -0.00  -0.01  -0.34    -0.11  -0.09  -0.10
    16   1    -0.02   0.04   0.04    -0.04  -0.02   0.11     0.23   0.15   0.02
    17   1     0.09   0.06  -0.14    -0.03  -0.04   0.07     0.15   0.18  -0.04
    18   1    -0.02   0.01  -0.03    -0.07  -0.04  -0.44     0.09  -0.07  -0.20
    19   1    -0.09  -0.02   0.01    -0.01   0.02  -0.23    -0.08  -0.17  -0.08
    20   1     0.10  -0.16   0.05    -0.01  -0.05  -0.02    -0.16   0.05  -0.08
    21   6    -0.01  -0.04   0.05     0.01   0.01  -0.01    -0.02  -0.00   0.01
    22   6    -0.02   0.01  -0.10     0.07   0.01  -0.08    -0.08  -0.04  -0.03
    23   1     0.06  -0.08   0.01     0.02  -0.04  -0.01    -0.10   0.17  -0.01
    24   1    -0.02  -0.01   0.00    -0.01  -0.01   0.01     0.11  -0.03  -0.01
    25   1    -0.01  -0.02   0.00    -0.04   0.02   0.00     0.10  -0.02  -0.00
    26   1    -0.04   0.14  -0.04     0.06   0.07  -0.06     0.09  -0.05  -0.01
    27   1    -0.14  -0.10   0.34     0.01   0.00   0.05     0.11   0.06  -0.15
    28   1    -0.03   0.15  -0.02     0.02   0.04   0.04     0.01  -0.17   0.19
    29   8    -0.06   0.08  -0.03    -0.05   0.03  -0.00     0.01   0.09   0.00
    30   8    -0.02  -0.01   0.08    -0.04  -0.02   0.04     0.05  -0.08   0.00
    31   1     0.68  -0.17  -0.16     0.36  -0.07  -0.11    -0.18  -0.29   0.17
                     28                     29                     30
                      A                      A                      A
 Frequencies --    757.7788               778.6814               799.9287
 Red. masses --      5.5307                 2.5411                 3.3995
 Frc consts  --      1.8712                 0.9078                 1.2816
 IR Inten    --     23.8688                 2.3281                13.0185
 RamAct Fr= 1--     50.5486                10.5132                42.5450
  Dep-P Fr= 1--      0.0829                 0.0993                 0.0991
  Dep-U Fr= 1--      0.1531                 0.1807                 0.1804
 Alpha2 Fr= 1--      0.9227                 0.1844                 0.7465
 Beta2  Fr= 1--      1.2895                 0.3166                 1.2791
 AlphaG Fr= 1--      0.2302                 0.2224                -0.6011
 Gamma2 Fr= 1--      0.2242                 1.4501                -2.8699
 Delta2 Fr= 1--      0.1057                -0.2922                 0.1505
 Raman1 Fr= 1--     202.195                 42.053                170.180
 ROA1   Fr= 1--      24.909                129.861               -270.696
 CID1   Fr= 1--       0.123                  3.088                 -1.591
 Raman2 Fr= 1--      15.473                  3.800                 15.349
 ROA2   Fr= 1--       4.536                 37.140                -70.082
 CID2   Fr= 1--       0.293                  9.775                 -4.566
 Raman3 Fr= 1--      30.947                  7.599                 30.697
 ROA3   Fr= 1--      24.909                129.861               -270.696
 CID3   Fr= 1--       0.805                 17.089                 -8.818
 RC180  Fr= 1--      -0.694                 -0.639                 -0.639
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.05  -0.03     0.01   0.01   0.11     0.00  -0.00   0.01
     2   6     0.12   0.07   0.01    -0.01   0.00  -0.12     0.03  -0.04  -0.05
     3   6    -0.00  -0.11   0.02    -0.02  -0.03  -0.01     0.09   0.09   0.00
     4   6     0.03  -0.10  -0.01     0.01  -0.01   0.19     0.05   0.09   0.09
     5   6    -0.04   0.11   0.03    -0.02  -0.00  -0.19    -0.04  -0.06  -0.03
     6   6     0.11   0.32  -0.05     0.01   0.05   0.01     0.02  -0.11   0.00
     7   6    -0.01  -0.26   0.01    -0.01  -0.05  -0.03     0.00   0.11  -0.09
     8   6    -0.03  -0.06  -0.01     0.00   0.01   0.10     0.01  -0.02  -0.02
     9   6    -0.09   0.04  -0.01    -0.00  -0.00  -0.09    -0.06  -0.01  -0.04
    10   6    -0.05   0.11  -0.02     0.02   0.03   0.04    -0.11  -0.08   0.01
    11   6     0.06  -0.06  -0.02     0.02  -0.03  -0.01    -0.07   0.03  -0.01
    12   8    -0.12  -0.11   0.03    -0.01  -0.01  -0.01    -0.00  -0.00   0.00
    13   6    -0.07   0.04   0.00    -0.00   0.00  -0.00    -0.02   0.01   0.00
    14   1    -0.00  -0.02  -0.01     0.00   0.02   0.26     0.13   0.04   0.19
    15   1    -0.02  -0.10   0.07    -0.09  -0.07  -0.49     0.17   0.01  -0.38
    16   1     0.13   0.31  -0.14     0.05   0.10   0.48     0.09  -0.12   0.19
    17   1     0.01  -0.25   0.16    -0.02  -0.09  -0.38    -0.07   0.19   0.25
    18   1     0.15   0.09   0.11     0.01   0.02  -0.07     0.01  -0.00   0.41
    19   1    -0.02   0.11   0.02     0.06   0.05   0.33    -0.13  -0.05   0.25
    20   1    -0.03  -0.11   0.02     0.04  -0.02   0.03    -0.16  -0.01  -0.09
    21   6     0.01  -0.02   0.00     0.01   0.00  -0.02    -0.03  -0.03   0.05
    22   6     0.22   0.05  -0.05    -0.07  -0.01   0.05     0.27   0.04  -0.11
    23   1    -0.15   0.22  -0.01    -0.01   0.02   0.02    -0.01   0.01   0.01
    24   1     0.05   0.02  -0.01     0.01  -0.00  -0.00    -0.01   0.01   0.00
    25   1     0.06   0.02  -0.00    -0.00   0.00  -0.00    -0.02   0.01   0.00
    26   1     0.01   0.13  -0.08    -0.04   0.02  -0.01     0.08   0.02  -0.03
    27   1    -0.07  -0.06   0.21    -0.04  -0.02   0.04     0.05   0.00   0.03
    28   1    -0.00   0.13  -0.03    -0.00   0.06  -0.09    -0.01  -0.11   0.21
    29   8    -0.04  -0.07   0.04     0.03  -0.01  -0.01    -0.06  -0.03   0.05
    30   8    -0.07   0.07   0.03     0.02   0.03  -0.01    -0.07   0.01   0.03
    31   1     0.23   0.23  -0.15    -0.09   0.04   0.03     0.17   0.10  -0.10
                     31                     32                     33
                      A                      A                      A
 Frequencies --    814.9915               818.0111               842.1863
 Red. masses --      1.9202                 1.6897                 2.3354
 Frc consts  --      0.7514                 0.6662                 0.9760
 IR Inten    --      5.0373                16.9108                 0.6158
 RamAct Fr= 1--      1.6480                 0.4058                 2.4598
  Dep-P Fr= 1--      0.7113                 0.3926                 0.1817
  Dep-U Fr= 1--      0.8313                 0.5639                 0.3076
 Alpha2 Fr= 1--      0.0011                 0.0031                 0.0350
 Beta2  Fr= 1--      0.2283                 0.0381                 0.1261
 AlphaG Fr= 1--     -0.0281                -0.0052                 0.0004
 Gamma2 Fr= 1--      1.5755                 0.8383                 1.7544
 Delta2 Fr= 1--     -0.1332                -0.0557                 0.1498
 Raman1 Fr= 1--       6.592                  1.623                  9.839
 ROA1   Fr= 1--     146.986                 78.692                173.215
 CID1   Fr= 1--      22.298                 48.485                 17.604
 Raman2 Fr= 1--       2.740                  0.458                  1.513
 ROA2   Fr= 1--      38.877                 20.564                 40.907
 CID2   Fr= 1--      14.189                 44.938                 27.036
 Raman3 Fr= 1--       5.480                  0.915                  3.026
 ROA3   Fr= 1--     146.986                 78.692                173.215
 CID3   Fr= 1--      26.824                 85.984                 57.240
 RC180  Fr= 1--       0.663                  0.128                 -0.385
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.01     0.01   0.01   0.09     0.01  -0.01  -0.06
     2   6    -0.03   0.00  -0.03    -0.01  -0.01  -0.10     0.02   0.01   0.03
     3   6    -0.05  -0.03   0.04     0.01   0.01  -0.00     0.05   0.02   0.04
     4   6    -0.02  -0.02   0.05    -0.00  -0.00  -0.09     0.03   0.01   0.05
     5   6     0.03   0.03   0.01     0.01   0.01   0.12    -0.03  -0.02  -0.04
     6   6    -0.02   0.03  -0.02    -0.01  -0.02  -0.10     0.01  -0.00   0.03
     7   6    -0.02  -0.06  -0.07     0.01   0.01   0.03     0.00   0.02  -0.08
     8   6    -0.01  -0.02  -0.08    -0.00   0.00  -0.03    -0.01   0.01  -0.08
     9   6     0.04   0.01   0.05    -0.00   0.00   0.02    -0.00   0.01   0.12
    10   6     0.07   0.03  -0.03    -0.01  -0.00   0.03    -0.05  -0.02   0.01
    11   6     0.03   0.09   0.07    -0.01  -0.04  -0.03     0.01  -0.13  -0.04
    12   8     0.01   0.01   0.00    -0.00  -0.00  -0.02    -0.01  -0.01   0.02
    13   6     0.02  -0.01   0.00    -0.00   0.00  -0.00    -0.02   0.01   0.00
    14   1    -0.03   0.01   0.23     0.07   0.07   0.64     0.00  -0.01  -0.17
    15   1    -0.14  -0.05  -0.30     0.02   0.01   0.03     0.05  -0.03  -0.36
    16   1    -0.04   0.07   0.15     0.06   0.04   0.52     0.04  -0.04  -0.13
    17   1     0.07  -0.02   0.53     0.01   0.02   0.08     0.06   0.09   0.54
    18   1     0.05   0.05   0.48    -0.00   0.00  -0.03     0.03   0.06   0.36
    19   1     0.11   0.02  -0.04    -0.08  -0.04  -0.45    -0.11  -0.01  -0.12
    20   1     0.08   0.12   0.01    -0.02  -0.05  -0.00    -0.02  -0.15   0.06
    21   6    -0.00   0.02   0.04     0.00  -0.00  -0.02     0.03   0.02  -0.11
    22   6    -0.03   0.00  -0.06    -0.01  -0.00   0.03    -0.12  -0.03   0.10
    23   1     0.02  -0.02   0.01    -0.00   0.01   0.03    -0.02   0.03  -0.01
    24   1     0.01  -0.01  -0.00     0.00   0.01  -0.01    -0.01   0.01   0.00
    25   1     0.01  -0.01  -0.00    -0.01  -0.00  -0.01    -0.00   0.01   0.00
    26   1    -0.05  -0.18   0.18     0.02   0.07  -0.07     0.05   0.23  -0.24
    27   1     0.03   0.04  -0.17    -0.01  -0.01   0.06    -0.05  -0.03   0.18
    28   1     0.00  -0.08  -0.04    -0.00   0.04   0.01     0.02   0.18  -0.08
    29   8    -0.03   0.06  -0.03     0.01  -0.02   0.01     0.05  -0.03   0.00
    30   8     0.01  -0.10  -0.01     0.00   0.04   0.00     0.02   0.08  -0.00
    31   1     0.05  -0.23   0.02    -0.03   0.08   0.00    -0.09   0.12   0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --    851.6811               896.3611               917.0133
 Red. masses --      3.1362                 1.7087                 1.5513
 Frc consts  --      1.3403                 0.8089                 0.7686
 IR Inten    --      3.4490                33.1949                11.2392
 RamAct Fr= 1--     26.7902                 2.3768                 1.8527
  Dep-P Fr= 1--      0.0818                 0.7322                 0.5687
  Dep-U Fr= 1--      0.1512                 0.8454                 0.7251
 Alpha2 Fr= 1--      0.4903                 0.0007                 0.0063
 Beta2  Fr= 1--      0.6751                 0.3349                 0.2239
 AlphaG Fr= 1--      0.6763                -0.0021                 0.0763
 Gamma2 Fr= 1--     -2.5892                -0.1069                 0.0581
 Delta2 Fr= 1--      0.0092                -0.2855                 0.1580
 Raman1 Fr= 1--     107.161                  9.507                  7.411
 ROA1   Fr= 1--    -248.272                -19.398                 10.631
 CID1   Fr= 1--      -2.317                 -2.040                  1.435
 Raman2 Fr= 1--       8.102                  4.019                  2.687
 ROA2   Fr= 1--     -62.215                 -0.282                  0.130
 CID2   Fr= 1--      -7.679                 -0.070                  0.048
 Raman3 Fr= 1--      16.203                  8.038                  5.373
 ROA3   Fr= 1--    -248.272                -19.398                 10.631
 CID3   Fr= 1--     -15.323                 -2.413                  1.979
 RC180  Fr= 1--      -0.698                  0.691                  0.450
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.03   0.01     0.01   0.01   0.09    -0.00   0.00   0.01
     2   6     0.04   0.01  -0.01    -0.00  -0.00  -0.02     0.00  -0.01  -0.06
     3   6     0.17   0.06  -0.04    -0.02  -0.02  -0.18    -0.01   0.00   0.01
     4   6     0.08   0.03  -0.02     0.01   0.01   0.11    -0.01   0.00  -0.03
     5   6    -0.08  -0.04   0.03    -0.00  -0.00  -0.03     0.01   0.01   0.08
     6   6     0.03   0.01  -0.01     0.00  -0.00   0.02     0.00  -0.01   0.01
     7   6    -0.06  -0.02   0.03    -0.00  -0.00  -0.05     0.01   0.01   0.01
     8   6    -0.08   0.03   0.01    -0.00  -0.01  -0.05     0.01  -0.01   0.00
     9   6    -0.01   0.03  -0.02    -0.00   0.00   0.02    -0.01   0.01   0.07
    10   6    -0.16  -0.07   0.02     0.00   0.00   0.00    -0.02  -0.00  -0.16
    11   6     0.17   0.05   0.09    -0.00  -0.01   0.00    -0.00  -0.02   0.02
    12   8    -0.04  -0.06   0.01    -0.00  -0.00  -0.02     0.00   0.00  -0.01
    13   6    -0.07   0.06   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.04   0.00   0.04     0.01   0.00   0.03     0.06   0.04   0.41
    15   1     0.35   0.01   0.06     0.08   0.09   0.87    -0.01   0.01   0.02
    16   1     0.15  -0.03   0.01    -0.00  -0.00  -0.01    -0.02  -0.03  -0.22
    17   1    -0.16   0.01  -0.09     0.02   0.02   0.12    -0.01   0.01  -0.02
    18   1    -0.11   0.00  -0.05     0.04   0.04   0.36     0.01  -0.02  -0.06
    19   1    -0.34  -0.01   0.04     0.01   0.00   0.03     0.10   0.08   0.83
    20   1     0.18   0.06   0.20    -0.01  -0.02   0.01    -0.03  -0.04   0.06
    21   6     0.07   0.02   0.02     0.00   0.00  -0.02     0.02   0.01  -0.04
    22   6    -0.09   0.01  -0.03    -0.01  -0.00   0.01    -0.02  -0.01   0.01
    23   1    -0.09   0.10   0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
    24   1    -0.03   0.04  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    25   1    -0.03   0.04  -0.00    -0.00   0.00  -0.00     0.00  -0.01  -0.00
    26   1    -0.21  -0.17   0.24     0.01   0.03  -0.03     0.01   0.07  -0.07
    27   1    -0.14  -0.07   0.00     0.00   0.00   0.01    -0.02  -0.00   0.04
    28   1     0.01   0.17  -0.39     0.00   0.02   0.00     0.01   0.05  -0.04
    29   8    -0.02   0.05  -0.06     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   8     0.03  -0.10  -0.02     0.00   0.01  -0.00     0.00   0.01  -0.00
    31   1     0.03  -0.24   0.03    -0.00   0.00   0.00    -0.01  -0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    936.9969               949.5309               961.9769
 Red. masses --      3.7074                 1.3762                 1.3341
 Frc consts  --      1.9178                 0.7310                 0.7274
 IR Inten    --     11.9293                 2.6233                 0.8659
 RamAct Fr= 1--     10.5497                 1.3268                 1.8914
  Dep-P Fr= 1--      0.3712                 0.5424                 0.5499
  Dep-U Fr= 1--      0.5415                 0.7033                 0.7096
 Alpha2 Fr= 1--      0.0863                 0.0053                 0.0072
 Beta2  Fr= 1--      0.9521                 0.1555                 0.2237
 AlphaG Fr= 1--      0.2145                 0.0169                 0.1086
 Gamma2 Fr= 1--      5.3201                -1.0532                 1.0558
 Delta2 Fr= 1--     -2.7525                 0.6373                 0.2366
 Raman1 Fr= 1--      42.199                  5.307                  7.566
 ROA1   Fr= 1--     422.648                -80.708                108.928
 CID1   Fr= 1--      10.016                -15.208                 14.398
 Raman2 Fr= 1--      11.425                  1.866                  2.684
 ROA2   Fr= 1--     149.702                -30.375                 23.447
 CID2   Fr= 1--      13.103                -16.276                  8.735
 Raman3 Fr= 1--      22.850                  3.732                  5.369
 ROA3   Fr= 1--     422.648                -80.708                108.928
 CID3   Fr= 1--      18.497                -21.624                 20.289
 RC180  Fr= 1--       0.083                  0.407                  0.419
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.03  -0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.01
     2   6    -0.12   0.19  -0.03     0.00   0.03   0.09    -0.01   0.01  -0.01
     3   6     0.11  -0.12  -0.00     0.01  -0.01  -0.01     0.00  -0.01   0.03
     4   6     0.05  -0.07   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.02
     5   6     0.03  -0.06   0.01     0.01  -0.00   0.05     0.00  -0.00  -0.01
     6   6    -0.03   0.04   0.02    -0.01  -0.01  -0.12     0.00  -0.00   0.02
     7   6    -0.04   0.02  -0.01     0.00   0.01   0.01     0.01   0.02   0.11
     8   6    -0.13   0.20  -0.00    -0.01   0.01  -0.02    -0.01  -0.01  -0.12
     9   6     0.12  -0.03   0.01     0.01  -0.00   0.03     0.00  -0.00   0.01
    10   6     0.09  -0.13  -0.02     0.00  -0.01  -0.07     0.01   0.00   0.01
    11   6    -0.06   0.01  -0.06    -0.01  -0.01   0.01    -0.00  -0.01   0.01
    12   8    -0.01  -0.07   0.01    -0.00  -0.01   0.00     0.00  -0.00   0.00
    13   6    -0.08   0.08   0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    14   1    -0.18   0.15   0.15    -0.06  -0.04  -0.54    -0.00   0.02   0.05
    15   1     0.20  -0.16   0.02     0.01  -0.01   0.03    -0.00  -0.02  -0.10
    16   1     0.15  -0.04  -0.17     0.09   0.06   0.73     0.00  -0.02  -0.10
    17   1     0.18  -0.05   0.07     0.00  -0.00  -0.06    -0.07  -0.07  -0.67
    18   1    -0.23   0.13  -0.05    -0.00   0.02   0.10     0.07   0.08   0.68
    19   1     0.14  -0.14   0.14     0.05   0.02   0.32     0.01  -0.01  -0.05
    20   1     0.03   0.06  -0.24    -0.01  -0.01   0.01    -0.01  -0.01   0.00
    21   6    -0.08  -0.01   0.03     0.00   0.01  -0.01    -0.00   0.00  -0.01
    22   6    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    23   1    -0.10   0.12   0.00    -0.01   0.01  -0.01    -0.00   0.01   0.00
    24   1    -0.04   0.06   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    25   1    -0.04   0.06  -0.01    -0.01   0.01   0.00    -0.00   0.00  -0.00
    26   1     0.14  -0.05  -0.04     0.01   0.02  -0.03     0.01   0.02  -0.02
    27   1     0.17   0.10  -0.17     0.01   0.01  -0.00     0.01   0.01   0.00
    28   1    -0.02  -0.29   0.35     0.00  -0.00   0.01     0.00   0.00   0.01
    29   8     0.01  -0.00   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   8    -0.00   0.02   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    31   1    -0.01   0.05   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    980.5783              1013.3083              1064.4489
 Red. masses --      3.5449                 2.0895                 1.9344
 Frc consts  --      2.0083                 1.2641                 1.2913
 IR Inten    --      0.9238                41.9814                55.0189
 RamAct Fr= 1--     20.9686                12.0526                 9.9827
  Dep-P Fr= 1--      0.1374                 0.3999                 0.4292
  Dep-U Fr= 1--      0.2416                 0.5713                 0.6006
 Alpha2 Fr= 1--      0.3347                 0.0893                 0.0664
 Beta2  Fr= 1--      0.8442                 1.1476                 0.9993
 AlphaG Fr= 1--     -0.3796                 0.2978                 0.2146
 Gamma2 Fr= 1--     -1.1231                 1.0528                -0.6918
 Delta2 Fr= 1--     -1.0608                 2.7154                -1.0685
 Raman1 Fr= 1--      83.874                 48.210                 39.931
 ROA1   Fr= 1--    -141.768                187.957               -100.602
 CID1   Fr= 1--      -1.690                  3.899                 -2.519
 Raman2 Fr= 1--      10.130                 13.771                 11.991
 ROA2   Fr= 1--     -18.468                  3.543                 -8.055
 CID2   Fr= 1--      -1.823                  0.257                 -0.672
 Raman3 Fr= 1--      20.260                 27.542                 23.982
 ROA3   Fr= 1--    -141.768                187.957               -100.602
 CID3   Fr= 1--      -6.997                  6.824                 -4.195
 RC180  Fr= 1--      -0.517                  0.143                  0.201
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.01  -0.01    -0.00  -0.00   0.00     0.01   0.00  -0.00
     2   6    -0.06   0.23  -0.02    -0.02  -0.00   0.00     0.01  -0.01  -0.00
     3   6    -0.01  -0.22   0.02     0.00   0.00   0.00     0.00   0.01  -0.00
     4   6     0.00   0.03  -0.00     0.00  -0.02   0.00    -0.01   0.01   0.00
     5   6     0.01  -0.03  -0.00     0.03   0.00  -0.01    -0.03  -0.01   0.00
     6   6     0.00  -0.12   0.02    -0.01   0.02   0.00     0.00   0.00  -0.00
     7   6     0.00   0.13  -0.02     0.01  -0.01  -0.00    -0.03  -0.01   0.01
     8   6     0.05  -0.17   0.03    -0.03   0.08   0.01     0.02  -0.07   0.00
     9   6    -0.09  -0.00  -0.01    -0.01  -0.02  -0.04     0.07   0.04  -0.01
    10   6     0.03   0.18  -0.00     0.04  -0.07   0.02    -0.02   0.06  -0.01
    11   6    -0.00  -0.00   0.06    -0.09   0.02   0.15     0.07   0.08  -0.08
    12   8    -0.00  -0.04   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.00
    13   6    -0.05   0.03   0.00     0.00  -0.00  -0.00    -0.01   0.01  -0.00
    14   1     0.07   0.34  -0.03    -0.04  -0.02   0.01    -0.01  -0.03   0.00
    15   1     0.06  -0.25   0.02    -0.02   0.01  -0.00    -0.01   0.01   0.00
    16   1     0.34  -0.26  -0.03    -0.06   0.04  -0.01     0.02  -0.01   0.01
    17   1    -0.28   0.25   0.05     0.16  -0.06  -0.01    -0.21   0.05   0.01
    18   1    -0.06  -0.26  -0.04    -0.01   0.09  -0.07    -0.01  -0.10   0.03
    19   1     0.03   0.17  -0.12     0.15  -0.13  -0.10    -0.24   0.16   0.06
    20   1    -0.04  -0.02   0.19    -0.14  -0.03   0.61     0.28   0.16   0.09
    21   6     0.05   0.02  -0.03     0.03  -0.00  -0.13    -0.11  -0.10  -0.00
    22   6     0.02   0.02  -0.02     0.05   0.09  -0.00    -0.04   0.07   0.06
    23   1    -0.07   0.08  -0.00     0.01  -0.01   0.00    -0.01   0.01   0.00
    24   1    -0.00   0.03  -0.00    -0.00  -0.00   0.00    -0.01   0.01   0.00
    25   1    -0.00   0.03  -0.00    -0.00  -0.00   0.00    -0.01   0.01  -0.00
    26   1    -0.07   0.04   0.00     0.05   0.37  -0.35     0.22   0.27  -0.34
    27   1    -0.08  -0.04   0.06    -0.04  -0.04   0.28     0.13  -0.01   0.27
    28   1     0.02   0.17  -0.20     0.02   0.25  -0.02    -0.05  -0.15   0.51
    29   8    -0.01   0.00  -0.01    -0.03   0.01  -0.02     0.01   0.01  -0.01
    30   8    -0.00  -0.02  -0.00     0.01  -0.11  -0.01     0.02  -0.09  -0.00
    31   1     0.00  -0.02  -0.00    -0.05   0.06  -0.04    -0.06   0.19  -0.06
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1071.1747              1106.1044              1159.9581
 Red. masses --      3.5758                 2.1296                 1.8478
 Frc consts  --      2.4174                 1.5351                 1.4648
 IR Inten    --     50.5665                10.3560                33.7692
 RamAct Fr= 1--      6.2569                 7.0457                24.1059
  Dep-P Fr= 1--      0.1330                 0.3182                 0.2748
  Dep-U Fr= 1--      0.2348                 0.4828                 0.4311
 Alpha2 Fr= 1--      0.1009                 0.0684                 0.2663
 Beta2  Fr= 1--      0.2449                 0.5670                 1.7319
 AlphaG Fr= 1--      0.0623                -0.2258                 0.0372
 Gamma2 Fr= 1--      0.7654                -2.2009                 0.7741
 Delta2 Fr= 1--     -0.5062                 2.5605                -1.4469
 Raman1 Fr= 1--      25.027                 28.183                 96.424
 ROA1   Fr= 1--      57.282               -129.356                 28.011
 CID1   Fr= 1--       2.289                 -4.590                  0.290
 Raman2 Fr= 1--       2.939                  6.803                 20.783
 ROA2   Fr= 1--      22.419                -73.306                 30.152
 CID2   Fr= 1--       7.629                -10.775                  1.451
 Raman3 Fr= 1--       5.878                 13.607                 41.565
 ROA3   Fr= 1--      57.282               -129.356                 28.011
 CID3   Fr= 1--       9.746                 -9.507                  0.674
 RC180  Fr= 1--      -0.530                 -0.034                 -0.138
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.16  -0.06   0.02     0.00   0.00  -0.00    -0.00   0.01  -0.00
     2   6    -0.03   0.10  -0.01    -0.02   0.01   0.00     0.05   0.02  -0.01
     3   6     0.04  -0.08   0.00    -0.00  -0.01   0.00    -0.02  -0.05   0.01
     4   6     0.06   0.04  -0.01    -0.02   0.02   0.00     0.03   0.01  -0.00
     5   6     0.01  -0.01   0.00     0.02   0.01  -0.00     0.01   0.09  -0.01
     6   6     0.03   0.02  -0.01     0.01  -0.00  -0.00    -0.04  -0.08   0.01
     7   6    -0.01  -0.05   0.01    -0.02  -0.02   0.00     0.01  -0.00  -0.00
     8   6    -0.02   0.03  -0.00    -0.00  -0.01  -0.01    -0.01   0.07  -0.01
     9   6     0.01   0.01   0.00     0.03   0.04   0.03    -0.13  -0.07   0.03
    10   6    -0.03  -0.04   0.00     0.04  -0.06  -0.01    -0.05  -0.03   0.00
    11   6     0.02   0.02  -0.02    -0.06   0.17  -0.16     0.06  -0.00  -0.06
    12   8    -0.15   0.21  -0.00     0.02  -0.01  -0.00     0.02  -0.01  -0.00
    13   6     0.18  -0.21   0.00    -0.01   0.02  -0.00    -0.03   0.00   0.00
    14   1     0.12   0.23  -0.04    -0.04  -0.00   0.00     0.47   0.35  -0.08
    15   1     0.64  -0.33  -0.03     0.02  -0.02   0.00    -0.07  -0.04   0.01
    16   1     0.24  -0.05  -0.02    -0.00   0.00   0.00    -0.32   0.02   0.03
    17   1    -0.06  -0.03   0.01    -0.04  -0.02   0.01     0.12  -0.04  -0.00
    18   1     0.05   0.08  -0.01    -0.00  -0.01   0.04     0.23   0.28  -0.05
    19   1    -0.09  -0.01   0.03     0.12  -0.09   0.03     0.32  -0.17  -0.00
    20   1     0.02   0.02  -0.01    -0.39   0.02  -0.06     0.30   0.11  -0.08
    21   6    -0.01  -0.02   0.01     0.09  -0.12   0.07     0.00  -0.02   0.03
    22   6    -0.01   0.01   0.01    -0.02  -0.03   0.01    -0.00   0.05   0.03
    23   1     0.16  -0.17   0.00    -0.00   0.00   0.00    -0.05   0.04  -0.00
    24   1     0.09  -0.14  -0.01    -0.01   0.01   0.00     0.04   0.00  -0.01
    25   1     0.10  -0.14   0.02    -0.01   0.01  -0.00     0.05  -0.00   0.00
    26   1     0.02   0.02  -0.03    -0.26   0.07   0.11    -0.00  -0.02   0.03
    27   1     0.00  -0.01   0.05    -0.31  -0.30   0.48    -0.00  -0.02   0.01
    28   1    -0.01  -0.02   0.06     0.01   0.34  -0.27    -0.00  -0.00  -0.02
    29   8     0.00   0.00  -0.00     0.02   0.00   0.02    -0.01   0.01  -0.01
    30   8     0.00  -0.01   0.00     0.00   0.00   0.00     0.02  -0.05   0.01
    31   1    -0.01   0.03  -0.01    -0.03   0.10  -0.02    -0.06   0.23  -0.05
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1172.6567              1173.6540              1187.6683
 Red. masses --      1.2713                 1.7436                 1.7069
 Frc consts  --      1.0300                 1.4150                 1.4186
 IR Inten    --      0.7728                50.0334                60.2547
 RamAct Fr= 1--      0.7969                28.0019                 2.0540
  Dep-P Fr= 1--      0.7182                 0.1844                 0.4344
  Dep-U Fr= 1--      0.8360                 0.3114                 0.6057
 Alpha2 Fr= 1--      0.0004                 0.3962                 0.0134
 Beta2  Fr= 1--      0.1110                 1.4532                 0.2073
 AlphaG Fr= 1--      0.0238                -0.1610                -0.0193
 Gamma2 Fr= 1--      0.1664                 0.0535                -0.3965
 Delta2 Fr= 1--     -0.0028                -0.1027                 0.0620
 Raman1 Fr= 1--       3.188                112.008                  8.216
 ROA1   Fr= 1--      15.880                  1.847                -36.082
 CID1   Fr= 1--       4.982                  0.016                 -4.392
 Raman2 Fr= 1--       1.332                 17.439                  2.488
 ROA2   Fr= 1--       4.016                  2.105                -10.012
 CID2   Fr= 1--       3.014                  0.121                 -4.024
 Raman3 Fr= 1--       2.665                 34.877                  4.976
 ROA3   Fr= 1--      15.880                  1.847                -36.082
 CID3   Fr= 1--       5.959                  0.053                 -7.251
 RC180  Fr= 1--       0.672                 -0.377                  0.211
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.04   0.03  -0.01    -0.09  -0.00   0.01
     2   6    -0.00  -0.00   0.00    -0.01  -0.04   0.00    -0.03  -0.01   0.00
     3   6     0.00   0.00  -0.00     0.04   0.02  -0.01    -0.00   0.03  -0.00
     4   6     0.00  -0.00  -0.00     0.02  -0.07   0.01    -0.12   0.06   0.01
     5   6    -0.00   0.00   0.00    -0.03  -0.01   0.00    -0.07   0.03   0.00
     6   6     0.00   0.00  -0.00     0.02   0.01  -0.00     0.06  -0.01  -0.00
     7   6     0.00   0.00  -0.00     0.07   0.08  -0.01     0.04  -0.04   0.00
     8   6    -0.00   0.00   0.00    -0.07  -0.01   0.00    -0.01  -0.02   0.00
     9   6    -0.00  -0.00   0.00    -0.07  -0.04   0.02    -0.04   0.01   0.00
    10   6     0.00   0.00  -0.00     0.01   0.06  -0.01     0.03   0.01  -0.00
    11   6     0.00  -0.00  -0.00     0.01  -0.01  -0.06     0.03  -0.01  -0.00
    12   8     0.00   0.01   0.06    -0.06   0.04   0.00     0.07  -0.06  -0.00
    13   6    -0.01  -0.01  -0.14     0.01  -0.06   0.01     0.01   0.09  -0.01
    14   1    -0.00  -0.00   0.01    -0.24  -0.22   0.05    -0.04  -0.02   0.01
    15   1    -0.00   0.00   0.01    -0.13   0.10   0.00     0.51  -0.18  -0.03
    16   1     0.00  -0.00  -0.00     0.20  -0.05  -0.01     0.39  -0.14  -0.03
    17   1     0.01  -0.00  -0.00     0.48  -0.07  -0.04     0.42  -0.18  -0.02
    18   1    -0.01  -0.01   0.00    -0.45  -0.31   0.09     0.03   0.01  -0.01
    19   1     0.01  -0.00  -0.00     0.18   0.00  -0.00     0.24  -0.07  -0.02
    20   1     0.00   0.00  -0.00     0.13   0.05  -0.07     0.08   0.02  -0.01
    21   6     0.00  -0.00   0.00     0.02  -0.01   0.03    -0.01  -0.00   0.00
    22   6     0.00   0.00   0.00     0.00   0.05   0.02    -0.00   0.01   0.00
    23   1     0.03   0.03   0.28    -0.09   0.15  -0.01     0.19  -0.28   0.01
    24   1     0.41  -0.50   0.19     0.08  -0.02  -0.03    -0.17   0.05   0.06
    25   1    -0.37   0.53   0.17     0.10  -0.04   0.01    -0.17   0.04  -0.03
    26   1    -0.00  -0.00   0.00    -0.04  -0.04   0.07     0.03   0.01  -0.02
    27   1    -0.00  -0.00  -0.00    -0.04  -0.03  -0.02     0.03   0.02  -0.01
    28   1     0.00   0.00  -0.00     0.00   0.02  -0.09    -0.01  -0.02   0.03
    29   8    -0.00   0.00  -0.00    -0.01   0.01  -0.02    -0.00   0.00  -0.00
    30   8     0.00  -0.00   0.00     0.02  -0.05   0.02     0.00  -0.01   0.00
    31   1    -0.00   0.01  -0.00    -0.07   0.29  -0.06    -0.01   0.03  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1189.3493              1199.0356              1206.7726
 Red. masses --      1.4858                 1.4665                 1.7066
 Frc consts  --      1.2383                 1.2422                 1.4643
 IR Inten    --     69.0476                74.3854                 8.7596
 RamAct Fr= 1--     19.7547                83.6736                 6.0261
  Dep-P Fr= 1--      0.5589                 0.1749                 0.2925
  Dep-U Fr= 1--      0.7170                 0.2978                 0.4526
 Alpha2 Fr= 1--      0.0718                 1.2134                 0.0632
 Beta2  Fr= 1--      2.3608                 4.1527                 0.4546
 AlphaG Fr= 1--     -0.0468                 1.0719                 0.0613
 Gamma2 Fr= 1--     -1.3176                 3.8021                 2.3371
 Delta2 Fr= 1--     -0.1125                -3.0149                 0.8701
 Raman1 Fr= 1--      79.019                334.694                 24.104
 ROA1   Fr= 1--    -130.092                268.528                252.205
 CID1   Fr= 1--      -1.646                  0.802                 10.463
 Raman2 Fr= 1--      28.329                 49.833                  5.455
 ROA2   Fr= 1--     -30.723                115.371                 49.129
 CID2   Fr= 1--      -1.084                  2.315                  9.006
 Raman3 Fr= 1--      56.659                 99.665                 10.910
 ROA3   Fr= 1--    -130.092                268.528                252.205
 CID3   Fr= 1--      -2.296                  2.694                 23.116
 RC180  Fr= 1--       0.434                 -0.404                 -0.095
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03   0.00     0.04   0.01  -0.01     0.03   0.06  -0.01
     2   6    -0.03   0.01   0.00    -0.03  -0.02   0.00    -0.01  -0.03   0.00
     3   6    -0.03   0.02   0.00    -0.00   0.00  -0.00     0.01  -0.02   0.00
     4   6     0.02   0.01  -0.00     0.01   0.01  -0.00    -0.09   0.06   0.00
     5   6     0.03  -0.04   0.00    -0.02   0.01   0.00    -0.06   0.03   0.00
     6   6     0.02   0.02  -0.00     0.03  -0.02  -0.00     0.01  -0.03   0.00
     7   6    -0.03   0.00   0.00    -0.00   0.01  -0.00    -0.01  -0.05   0.01
     8   6     0.04   0.02  -0.01     0.00   0.03  -0.00     0.02  -0.02   0.00
     9   6    -0.02  -0.01   0.02    -0.09  -0.02   0.00     0.05   0.06  -0.01
    10   6     0.00  -0.01  -0.00     0.01  -0.01   0.00     0.03  -0.03  -0.00
    11   6    -0.03  -0.07  -0.04     0.07   0.06   0.02    -0.02  -0.05   0.00
    12   8    -0.02  -0.02   0.00    -0.03   0.02   0.00     0.05   0.04  -0.01
    13   6     0.04   0.03  -0.01    -0.00  -0.03   0.00    -0.10  -0.07   0.02
    14   1    -0.30  -0.20   0.05    -0.30  -0.24   0.05    -0.08  -0.10   0.02
    15   1    -0.15   0.07   0.01    -0.19   0.08   0.01     0.27  -0.12  -0.02
    16   1     0.28  -0.07  -0.02     0.39  -0.16  -0.02     0.09  -0.07  -0.00
    17   1    -0.37   0.13   0.03    -0.15   0.07   0.01    -0.09  -0.03   0.01
    18   1     0.34   0.27  -0.06     0.27   0.26  -0.07     0.20   0.12  -0.03
    19   1    -0.01  -0.01   0.02     0.35  -0.15  -0.05     0.06  -0.04   0.00
    20   1     0.04  -0.04  -0.09     0.17   0.11   0.04    -0.12  -0.10  -0.03
    21   6     0.03   0.03   0.03    -0.03  -0.04  -0.01     0.00   0.03   0.00
    22   6     0.01   0.08   0.03    -0.02  -0.06  -0.02     0.00   0.03   0.01
    23   1     0.13  -0.17   0.00    -0.08   0.12  -0.00    -0.37   0.50  -0.01
    24   1    -0.14   0.03   0.04     0.06  -0.02  -0.02     0.35  -0.06  -0.10
    25   1    -0.15   0.02  -0.02     0.06  -0.01   0.01     0.37  -0.04   0.04
    26   1    -0.05  -0.10   0.13     0.06   0.10  -0.12    -0.00  -0.06   0.05
    27   1    -0.05   0.00  -0.13     0.06  -0.01   0.12    -0.00   0.03  -0.10
    28   1     0.01  -0.02  -0.15    -0.02   0.03   0.13     0.00  -0.04  -0.04
    29   8    -0.02   0.02  -0.03     0.02  -0.02   0.02    -0.01   0.01  -0.02
    30   8     0.03  -0.07   0.03    -0.02   0.05  -0.03     0.01  -0.03   0.02
    31   1    -0.11   0.42  -0.08     0.09  -0.34   0.07    -0.05   0.19  -0.04
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1260.8625              1296.9268              1304.8106
 Red. masses --      1.8117                 1.7765                 2.7008
 Frc consts  --      1.6969                 1.7605                 2.7092
 IR Inten    --     74.2116                21.5172               247.5652
 RamAct Fr= 1--     39.5874                 7.5832                23.4731
  Dep-P Fr= 1--      0.2681                 0.1586                 0.1607
  Dep-U Fr= 1--      0.4229                 0.2738                 0.2768
 Alpha2 Fr= 1--      0.4457                 0.1147                 0.3532
 Beta2  Fr= 1--      2.7901                 0.3460                 1.0830
 AlphaG Fr= 1--      0.3036                 0.0460                -0.0572
 Gamma2 Fr= 1--      5.6748                -2.0423                -0.8236
 Delta2 Fr= 1--     -0.8314                 0.0857                -1.0592
 Raman1 Fr= 1--     158.350                 30.333                 93.892
 ROA1   Fr= 1--     518.177               -193.323               -112.957
 CID1   Fr= 1--       3.272                 -6.373                 -1.203
 Raman2 Fr= 1--      33.482                  4.152                 12.996
 ROA2   Fr= 1--     142.846                -49.702                -11.292
 CID2   Fr= 1--       4.266                -11.970                 -0.869
 Raman3 Fr= 1--      66.963                  8.305                 25.993
 ROA3   Fr= 1--     518.177               -193.323               -112.957
 CID3   Fr= 1--       7.738                -23.279                 -4.346
 RC180  Fr= 1--      -0.154                 -0.452                 -0.446
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.02   0.01     0.03   0.05  -0.01     0.22   0.12  -0.03
     2   6    -0.02   0.03  -0.00     0.05  -0.00  -0.00     0.03   0.03  -0.01
     3   6    -0.04   0.04   0.00     0.05   0.04  -0.01     0.02  -0.04   0.00
     4   6    -0.03  -0.02   0.01    -0.07  -0.14   0.02    -0.11   0.11   0.00
     5   6     0.14  -0.10  -0.00    -0.08  -0.12   0.02     0.01   0.04  -0.01
     6   6     0.01   0.05  -0.01    -0.01   0.04  -0.00     0.00  -0.10   0.01
     7   6    -0.02   0.05  -0.00    -0.01   0.06  -0.01    -0.01  -0.03   0.00
     8   6     0.01   0.01  -0.00     0.03  -0.00  -0.00    -0.01  -0.04   0.01
     9   6    -0.08  -0.10   0.03    -0.02   0.02  -0.00     0.00  -0.00   0.00
    10   6    -0.01   0.04  -0.00     0.05   0.05  -0.01     0.02  -0.03  -0.00
    11   6    -0.03   0.02  -0.02     0.01   0.00   0.01    -0.02  -0.01  -0.01
    12   8     0.07   0.00  -0.01    -0.04  -0.01   0.00    -0.16  -0.02   0.02
    13   6    -0.05  -0.00   0.01     0.02  -0.00  -0.00     0.10  -0.02  -0.01
    14   1    -0.25  -0.15   0.04     0.03  -0.02  -0.00    -0.24  -0.20   0.04
    15   1     0.37  -0.13  -0.02     0.46  -0.12  -0.03     0.12  -0.07  -0.01
    16   1    -0.20   0.14   0.01    -0.44   0.20   0.02    -0.39   0.04   0.04
    17   1     0.21  -0.03  -0.02    -0.36   0.19   0.02     0.38  -0.18  -0.02
    18   1     0.18   0.15  -0.03     0.08   0.04  -0.01     0.27   0.18  -0.05
    19   1    -0.44   0.19   0.04     0.51  -0.12  -0.05    -0.33   0.10   0.03
    20   1     0.38   0.20   0.02    -0.01  -0.01  -0.02     0.09   0.04  -0.00
    21   6     0.03  -0.02   0.00    -0.00  -0.01   0.00     0.01   0.00   0.00
    22   6     0.01  -0.01  -0.01    -0.00  -0.01  -0.00     0.00   0.01   0.00
    23   1    -0.12   0.15  -0.00     0.04  -0.04  -0.00     0.09  -0.04  -0.01
    24   1     0.13  -0.02  -0.03    -0.06   0.01   0.01    -0.27   0.04   0.04
    25   1     0.14  -0.01   0.01    -0.06   0.01  -0.00    -0.28   0.04   0.00
    26   1    -0.05   0.03   0.01     0.01   0.02  -0.02    -0.01  -0.01   0.01
    27   1    -0.05  -0.05   0.07     0.02   0.01  -0.01    -0.03  -0.01   0.01
    28   1     0.01   0.05  -0.06    -0.01   0.03   0.00     0.01  -0.01  -0.02
    29   8     0.01  -0.01   0.02    -0.00   0.00  -0.00     0.00  -0.01   0.01
    30   8    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.01
    31   1     0.02  -0.10   0.02    -0.01   0.05  -0.01     0.02  -0.08   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1323.9740              1347.0919              1349.2066
 Red. masses --      1.8706                 1.4375                 2.1221
 Frc consts  --      1.9320                 1.5369                 2.2760
 IR Inten    --      2.3585                 3.7775                27.7952
 RamAct Fr= 1--     24.3476                 9.6187                 2.6533
  Dep-P Fr= 1--      0.3079                 0.7223                 0.6909
  Dep-U Fr= 1--      0.4709                 0.8388                 0.8172
 Alpha2 Fr= 1--      0.2438                 0.0046                 0.0027
 Beta2  Fr= 1--      1.9107                 1.3446                 0.3614
 AlphaG Fr= 1--      0.7360                 0.0535                 0.0247
 Gamma2 Fr= 1--      9.7819                -4.0355                -0.5238
 Delta2 Fr= 1--     -2.4069                 1.3510                 0.2833
 Raman1 Fr= 1--      97.390                 38.475                 10.613
 ROA1   Fr= 1--     862.036               -344.178                -41.223
 CID1   Fr= 1--       8.851                 -8.946                 -3.884
 Raman2 Fr= 1--      22.929                 16.136                  4.337
 ROA2   Fr= 1--     254.020               -107.660                -14.838
 CID2   Fr= 1--      11.079                 -6.672                 -3.421
 Raman3 Fr= 1--      45.858                 32.271                  8.673
 ROA3   Fr= 1--     862.036               -344.178                -41.223
 CID3   Fr= 1--      18.798                -10.665                 -4.753
 RC180  Fr= 1--      -0.058                  0.678                  0.634
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.00    -0.01   0.02  -0.00    -0.02   0.01   0.00
     2   6     0.02  -0.03   0.00    -0.01   0.01  -0.00    -0.01   0.01   0.00
     3   6     0.04   0.01  -0.01    -0.02  -0.01   0.00    -0.01  -0.01   0.00
     4   6    -0.02  -0.02   0.00     0.01   0.01  -0.00     0.01  -0.01  -0.00
     5   6    -0.11   0.03   0.01     0.05  -0.01  -0.01     0.03  -0.01  -0.00
     6   6    -0.03   0.00   0.00     0.02  -0.01  -0.00     0.02   0.00  -0.00
     7   6    -0.01  -0.01   0.00     0.01  -0.00  -0.00     0.02   0.00  -0.00
     8   6     0.00   0.02  -0.01     0.00  -0.01  -0.00    -0.01  -0.01   0.00
     9   6     0.10  -0.03   0.01    -0.04   0.03   0.01    -0.03   0.03   0.00
    10   6     0.03   0.04  -0.01    -0.02  -0.03   0.00    -0.01  -0.02   0.00
    11   6    -0.16  -0.04  -0.08     0.05   0.00  -0.14     0.02  -0.04  -0.03
    12   8    -0.01   0.01   0.00     0.01  -0.01  -0.00     0.01  -0.00  -0.00
    13   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.22   0.12  -0.03    -0.12  -0.07   0.02    -0.07  -0.04   0.01
    15   1    -0.05   0.05   0.00     0.04  -0.04  -0.00     0.02  -0.03   0.00
    16   1     0.21  -0.09  -0.01    -0.12   0.05   0.01    -0.08   0.04   0.00
    17   1    -0.10   0.03   0.01    -0.02   0.01  -0.00    -0.04   0.03   0.00
    18   1     0.04   0.05   0.01    -0.06  -0.06   0.03    -0.05  -0.04   0.01
    19   1     0.02   0.06   0.01     0.07  -0.06   0.01     0.06  -0.04   0.02
    20   1     0.61   0.27   0.40    -0.18  -0.18   0.85    -0.27  -0.14  -0.39
    21   6     0.04   0.01   0.03    -0.04   0.06   0.04    -0.00  -0.02   0.04
    22   6     0.03   0.05   0.01    -0.01   0.00  -0.00     0.01   0.25   0.13
    23   1     0.01  -0.02   0.00     0.00   0.00  -0.00     0.00  -0.01   0.00
    24   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01  -0.00   0.00
    25   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
    26   1    -0.12   0.00   0.10     0.08  -0.13   0.10     0.04   0.11  -0.06
    27   1    -0.15  -0.06  -0.07     0.03   0.09  -0.17     0.00  -0.00  -0.15
    28   1     0.03  -0.01  -0.13    -0.02  -0.19   0.01    -0.01   0.03  -0.13
    29   8     0.02  -0.04   0.04     0.02  -0.02   0.02     0.01  -0.06   0.00
    30   8    -0.02   0.01  -0.03    -0.00   0.00  -0.01    -0.03  -0.04  -0.07
    31   1     0.07  -0.32   0.06     0.01  -0.06   0.01     0.17  -0.73   0.11
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1389.2627              1403.3210              1412.6404
 Red. masses --      2.4601                 2.6046                 3.6615
 Frc consts  --      2.7975                 3.0221                 4.3050
 IR Inten    --     14.2226                13.1619                 1.4105
 RamAct Fr= 1--     92.6458                 5.3300               536.4338
  Dep-P Fr= 1--      0.1830                 0.1935                 0.2047
  Dep-U Fr= 1--      0.3094                 0.3242                 0.3398
 Alpha2 Fr= 1--      1.3157                 0.0736                 7.1943
 Beta2  Fr= 1--      4.7769                 0.2880                30.3843
 AlphaG Fr= 1--      0.3293                 0.0656                 2.8139
 Gamma2 Fr= 1--      3.1013                -1.4593                 4.1722
 Delta2 Fr= 1--      5.5036                -0.6282                -0.9823
 Raman1 Fr= 1--     370.583                 21.320               2145.735
 ROA1   Fr= 1--     473.839               -160.197                369.094
 CID1   Fr= 1--       1.279                 -7.514                  0.172
 Raman2 Fr= 1--      57.323                  3.456                364.612
 ROA2   Fr= 1--      30.402                -29.998                107.990
 CID2   Fr= 1--       0.530                 -8.680                  0.296
 Raman3 Fr= 1--     114.647                  6.912                729.223
 ROA3   Fr= 1--     473.839               -160.197                369.094
 CID3   Fr= 1--       4.133                -23.177                  0.506
 RC180  Fr= 1--      -0.381                 -0.352                 -0.320
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.19  -0.01    -0.06   0.03   0.00    -0.01  -0.06   0.01
     2   6    -0.06  -0.03   0.01    -0.12  -0.06   0.02     0.06   0.06  -0.01
     3   6    -0.00  -0.10   0.01     0.16  -0.05  -0.01    -0.10  -0.01   0.01
     4   6     0.04  -0.06   0.00    -0.06  -0.02   0.01     0.09   0.25  -0.03
     5   6     0.05   0.12  -0.02    -0.06  -0.04   0.01    -0.07  -0.23   0.03
     6   6     0.13  -0.06  -0.01     0.11   0.06  -0.02    -0.03   0.04  -0.00
     7   6     0.09  -0.03  -0.01     0.09   0.07  -0.02     0.14  -0.08  -0.01
     8   6    -0.02   0.04  -0.00    -0.13  -0.08   0.02    -0.11  -0.05   0.01
     9   6    -0.01   0.07  -0.00    -0.07   0.03   0.00    -0.06   0.18  -0.01
    10   6    -0.06  -0.06   0.01     0.14  -0.05  -0.01     0.08  -0.06  -0.00
    11   6    -0.04  -0.03   0.03     0.04   0.01  -0.01    -0.03  -0.03   0.01
    12   8     0.02  -0.03   0.00    -0.00   0.02  -0.00     0.02  -0.00  -0.00
    13   6     0.01   0.03  -0.00    -0.01   0.01   0.00    -0.01   0.00   0.00
    14   1    -0.26  -0.19   0.05     0.25   0.25  -0.05    -0.13  -0.09   0.02
    15   1     0.10  -0.16   0.01    -0.39   0.16   0.02    -0.19   0.02   0.02
    16   1    -0.21   0.07   0.01    -0.13   0.16  -0.00    -0.32   0.14   0.02
    17   1    -0.47   0.18   0.03     0.01   0.11  -0.01    -0.03  -0.01   0.00
    18   1    -0.32  -0.20   0.05     0.35   0.32  -0.07    -0.16  -0.09   0.03
    19   1    -0.07  -0.07   0.01    -0.40   0.15   0.03     0.22  -0.12  -0.01
    20   1     0.43   0.20  -0.12    -0.07  -0.04   0.04     0.48   0.21  -0.05
    21   6     0.02  -0.01  -0.02    -0.01   0.02  -0.01    -0.00  -0.04   0.04
    22   6     0.00  -0.02  -0.02    -0.00   0.00   0.00     0.00  -0.03  -0.02
    23   1     0.07  -0.09   0.00     0.07  -0.16   0.01    -0.02   0.03  -0.00
    24   1    -0.00  -0.02   0.04     0.10  -0.02  -0.00     0.01  -0.00  -0.00
    25   1    -0.01  -0.03  -0.03     0.10  -0.02  -0.01     0.01  -0.00  -0.00
    26   1    -0.05   0.01   0.01     0.02  -0.09   0.04     0.06   0.22  -0.14
    27   1    -0.05  -0.04   0.06    -0.02   0.00   0.08     0.08   0.01  -0.22
    28   1     0.02   0.01   0.01     0.01  -0.08   0.06    -0.04   0.15  -0.21
    29   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    30   8     0.00   0.01   0.01     0.00  -0.00   0.00     0.00   0.01   0.01
    31   1    -0.01   0.05  -0.01    -0.00   0.01  -0.00    -0.01   0.05  -0.01
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1418.6748              1456.8846              1479.8450
 Red. masses --      1.3078                 3.3322                 1.2094
 Frc consts  --      1.5508                 4.1671                 1.5604
 IR Inten    --      3.3840                 1.5734                 7.1192
 RamAct Fr= 1--     38.7322               203.2223                 9.5651
  Dep-P Fr= 1--      0.2043                 0.2433                 0.4768
  Dep-U Fr= 1--      0.3393                 0.3914                 0.6457
 Alpha2 Fr= 1--      0.5200                 2.4538                 0.0524
 Beta2  Fr= 1--      2.1906                13.2571                 1.0294
 AlphaG Fr= 1--      0.2332                 0.7233                 0.0257
 Gamma2 Fr= 1--     -1.4435                10.2551                -0.7665
 Delta2 Fr= 1--      0.1195                -0.8132                 0.2624
 Raman1 Fr= 1--     154.929                812.889                 38.260
 ROA1   Fr= 1--    -134.751                958.471                -65.190
 CID1   Fr= 1--      -0.870                  1.179                 -1.704
 Raman2 Fr= 1--      26.288                159.086                 12.353
 ROA2   Fr= 1--     -35.600                252.629                -20.496
 CID2   Fr= 1--      -1.354                  1.588                 -1.659
 Raman3 Fr= 1--      52.575                318.171                 24.706
 ROA3   Fr= 1--    -134.751                958.471                -65.190
 CID3   Fr= 1--      -2.563                  3.012                 -2.639
 RC180  Fr= 1--      -0.321                 -0.217                  0.291
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.00     0.04  -0.15   0.01    -0.01  -0.01   0.00
     2   6     0.03   0.02  -0.00    -0.12   0.04   0.01    -0.05  -0.03   0.01
     3   6    -0.03   0.00   0.00     0.13   0.03  -0.02    -0.01   0.01   0.00
     4   6     0.03   0.04  -0.01    -0.17   0.01   0.02    -0.01  -0.01   0.00
     5   6    -0.01  -0.04   0.00     0.15  -0.01  -0.01     0.02  -0.00  -0.00
     6   6    -0.02   0.00   0.00     0.11   0.00  -0.01     0.01   0.03  -0.00
     7   6     0.02  -0.01  -0.00    -0.12  -0.01   0.01     0.03  -0.01  -0.00
     8   6    -0.02  -0.00   0.00     0.13  -0.04  -0.01    -0.00   0.01  -0.00
     9   6    -0.01   0.02  -0.00    -0.02   0.17  -0.01    -0.03   0.01   0.00
    10   6     0.01   0.00  -0.00    -0.13  -0.03   0.02     0.01  -0.02   0.00
    11   6    -0.00  -0.01  -0.00    -0.03  -0.05   0.01     0.00  -0.00  -0.00
    12   8     0.01  -0.00  -0.00    -0.02   0.04  -0.00     0.03  -0.01  -0.00
    13   6    -0.00   0.00   0.00    -0.01  -0.01   0.00     0.07  -0.07  -0.00
    14   1    -0.05  -0.04   0.01     0.04   0.19  -0.02     0.16   0.13  -0.03
    15   1     0.02  -0.02  -0.00    -0.31   0.23   0.01     0.04  -0.01  -0.00
    16   1    -0.04   0.01   0.00    -0.20   0.13   0.01     0.09   0.00  -0.01
    17   1     0.00  -0.00  -0.00     0.19  -0.14  -0.00    -0.08   0.04   0.00
    18   1    -0.03  -0.01   0.00    -0.07  -0.23   0.03    -0.06  -0.04   0.01
    19   1     0.10  -0.04  -0.01     0.42  -0.25  -0.02    -0.06   0.01   0.01
    20   1     0.02   0.00  -0.06     0.38   0.14  -0.06     0.03   0.01  -0.01
    21   6     0.03   0.07  -0.11     0.01   0.00  -0.02    -0.00   0.00  -0.00
    22   6     0.00   0.04   0.02     0.00   0.00  -0.00    -0.00   0.00  -0.00
    23   1    -0.01   0.02  -0.00    -0.00  -0.04   0.00    -0.23   0.52  -0.03
    24   1    -0.01   0.00   0.00     0.07   0.02  -0.04    -0.44   0.27  -0.15
    25   1    -0.01   0.00   0.00     0.07   0.03   0.03    -0.41   0.30   0.18
    26   1    -0.23  -0.43   0.30    -0.07  -0.02   0.03     0.04  -0.02  -0.00
    27   1    -0.23  -0.08   0.51    -0.04  -0.02   0.03     0.01   0.00   0.03
    28   1     0.10  -0.26   0.47     0.02  -0.01   0.07    -0.00  -0.01  -0.03
    29   8     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   8    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   1     0.02  -0.08   0.01     0.00  -0.01   0.00    -0.00  -0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1494.9600              1495.6971              1502.6655
 Red. masses --      1.0488                 1.0467                 1.0524
 Frc consts  --      1.3810                 1.3796                 1.4001
 IR Inten    --      9.7971                 7.7628                12.0344
 RamAct Fr= 1--      5.2960                11.7015                 8.4119
  Dep-P Fr= 1--      0.7468                 0.7499                 0.4694
  Dep-U Fr= 1--      0.8550                 0.8571                 0.6389
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0476
 Beta2  Fr= 1--      0.7547                 1.6715                 0.8957
 AlphaG Fr= 1--      0.0048                 0.0026                 0.3310
 Gamma2 Fr= 1--      0.9279                 0.1857                 3.6930
 Delta2 Fr= 1--     -1.1030                 0.1974                 2.2809
 Raman1 Fr= 1--      21.184                 46.806                 33.647
 ROA1   Fr= 1--      53.780                 24.140                427.521
 CID1   Fr= 1--       2.539                  0.516                 12.706
 Raman2 Fr= 1--       9.056                 20.059                 10.748
 ROA2   Fr= 1--      31.093                  2.876                 70.386
 CID2   Fr= 1--       3.433                  0.143                  6.549
 Raman3 Fr= 1--      18.113                 40.117                 21.496
 ROA3   Fr= 1--      53.780                 24.140                427.521
 CID3   Fr= 1--       2.969                  0.602                 19.888
 RC180  Fr= 1--       0.710                  0.714                  0.278
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.01   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.01   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6     0.00  -0.01   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     9   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    10   6     0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.02   0.01   0.00     0.00  -0.00  -0.00    -0.02  -0.02  -0.02
    12   8    -0.01   0.00   0.00    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
    13   6    -0.01   0.00  -0.00    -0.01  -0.01  -0.06    -0.00  -0.00   0.00
    14   1     0.01   0.00  -0.00    -0.00  -0.00  -0.02     0.00   0.00  -0.00
    15   1     0.01   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    16   1     0.02  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.02   0.00   0.00     0.00   0.00   0.00    -0.01   0.00   0.00
    18   1    -0.03  -0.03   0.01     0.00   0.00   0.00    -0.01  -0.00   0.00
    19   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.01   0.02
    20   1     0.05   0.05  -0.05    -0.00  -0.00   0.00     0.02  -0.01   0.05
    21   6    -0.04   0.02   0.01     0.00  -0.00  -0.00    -0.03  -0.04  -0.02
    22   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.02   0.01
    23   1     0.02  -0.04   0.01     0.07   0.07   0.71     0.00  -0.01  -0.00
    24   1     0.03  -0.01   0.01    -0.47  -0.05   0.13     0.00   0.01  -0.01
    25   1     0.04  -0.01  -0.01     0.48   0.06   0.01     0.00   0.01   0.00
    26   1     0.60  -0.35  -0.06    -0.01   0.01   0.00    -0.15  -0.30   0.20
    27   1     0.13   0.06   0.46    -0.00  -0.00  -0.01     0.61   0.24   0.07
    28   1    -0.05  -0.12  -0.49     0.00   0.00   0.01    -0.06   0.62   0.13
    29   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.00  -0.02   0.00    -0.00   0.00  -0.00     0.00  -0.02   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1506.9339              1524.3811              1547.5136
 Red. masses --      1.0601                 2.3928                 3.5057
 Frc consts  --      1.4184                 3.2760                 4.9464
 IR Inten    --     47.9664                21.1815                75.5772
 RamAct Fr= 1--     19.4746               161.3497                 8.4095
  Dep-P Fr= 1--      0.4276                 0.2584                 0.2184
  Dep-U Fr= 1--      0.5990                 0.4106                 0.3586
 Alpha2 Fr= 1--      0.1303                 1.8678                 0.1087
 Beta2  Fr= 1--      1.9442                11.0426                 0.5026
 AlphaG Fr= 1--      0.0105                 0.7396                 0.0175
 Gamma2 Fr= 1--      0.8151                 3.5793                -1.4897
 Delta2 Fr= 1--      0.1278                -0.6502                -0.1911
 Raman1 Fr= 1--      77.899                645.399                 33.638
 ROA1   Fr= 1--      82.345                322.807               -149.126
 CID1   Fr= 1--       1.057                  0.500                 -4.433
 Raman2 Fr= 1--      23.331                132.512                  6.031
 ROA2   Fr= 1--      18.541                 91.106                -34.224
 CID2   Fr= 1--       0.795                  0.688                 -5.675
 Raman3 Fr= 1--      46.662                265.023                 12.061
 ROA3   Fr= 1--      82.345                322.807               -149.126
 CID3   Fr= 1--       1.765                  1.218                -12.364
 RC180  Fr= 1--       0.198                 -0.179                 -0.283
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.00     0.14  -0.02  -0.01     0.08   0.17  -0.03
     2   6     0.00  -0.00   0.00    -0.05  -0.06   0.01    -0.06  -0.16   0.02
     3   6    -0.01   0.00   0.00    -0.03   0.05  -0.00    -0.10  -0.03   0.01
     4   6    -0.00   0.00  -0.00    -0.13   0.04   0.01     0.12  -0.06  -0.01
     5   6     0.00  -0.00  -0.00     0.08  -0.02  -0.01     0.14  -0.06  -0.01
     6   6    -0.01   0.00   0.00    -0.08   0.05   0.00    -0.14   0.12   0.00
     7   6     0.01  -0.01  -0.00     0.11  -0.09  -0.00    -0.09   0.10  -0.00
     8   6     0.00   0.01  -0.00     0.06   0.10  -0.02    -0.05  -0.13   0.02
     9   6    -0.01  -0.01   0.00    -0.13  -0.02   0.01     0.01   0.18  -0.02
    10   6     0.00  -0.00  -0.00     0.07  -0.04  -0.00    -0.05  -0.06   0.01
    11   6     0.00   0.00  -0.00     0.03   0.00  -0.00    -0.01  -0.03   0.00
    12   8    -0.02  -0.01   0.00    -0.05   0.01   0.00    -0.03  -0.02   0.00
    13   6    -0.03  -0.04   0.01    -0.02   0.03  -0.00    -0.01   0.02  -0.00
    14   1    -0.00  -0.01   0.00     0.30   0.21  -0.05     0.39   0.18  -0.06
    15   1     0.04  -0.02  -0.00     0.15  -0.01  -0.01     0.24  -0.17  -0.01
    16   1     0.02  -0.01  -0.00     0.28  -0.08  -0.02     0.45  -0.10  -0.04
    17   1    -0.04   0.01   0.00    -0.41   0.10   0.03     0.31  -0.05  -0.03
    18   1    -0.03  -0.02   0.01    -0.38  -0.25   0.06     0.25   0.10  -0.04
    19   1    -0.02   0.01   0.00    -0.26   0.08   0.02     0.14  -0.14  -0.00
    20   1    -0.01  -0.00   0.00     0.01  -0.00   0.00     0.18   0.06  -0.02
    21   6     0.00  -0.00   0.00     0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    22   6    -0.00  -0.00  -0.00    -0.00   0.01  -0.00    -0.00  -0.00  -0.00
    23   1     0.14  -0.36   0.03     0.05  -0.13   0.01     0.06  -0.12   0.00
    24   1     0.17   0.44  -0.44     0.13  -0.18   0.13     0.07  -0.06   0.04
    25   1     0.25   0.52   0.30     0.10  -0.20  -0.12     0.06  -0.07  -0.05
    26   1    -0.01   0.01  -0.00    -0.08   0.04   0.01    -0.00  -0.00  -0.00
    27   1    -0.01  -0.01  -0.01    -0.04  -0.01  -0.05     0.01   0.00  -0.00
    28   1     0.00  -0.01   0.01     0.01  -0.01   0.08    -0.00   0.01   0.00
    29   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    31   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1609.1984              1652.2589              1676.2956
 Red. masses --      6.8291                 5.6802                 6.3361
 Frc consts  --     10.4192                 9.1364                10.4900
 IR Inten    --      5.9389                99.5114                67.2266
 RamAct Fr= 1--     85.8183                19.0296               510.0231
  Dep-P Fr= 1--      0.5815                 0.6557                 0.3619
  Dep-U Fr= 1--      0.7354                 0.7920                 0.5315
 Alpha2 Fr= 1--      0.2709                 0.0321                 4.3062
 Beta2  Fr= 1--     10.5182                 2.5120                45.1777
 AlphaG Fr= 1--      0.4013                 0.1352                 4.0699
 Gamma2 Fr= 1--      5.7267                 0.6045                39.2950
 Delta2 Fr= 1--     -3.6866                -2.1300                -4.7791
 Raman1 Fr= 1--     343.273                 76.118               2040.092
 ROA1   Fr= 1--     431.791                -10.133               3619.386
 CID1   Fr= 1--       1.258                 -0.133                  1.774
 Raman2 Fr= 1--     126.219                 30.144                542.133
 ROA2   Fr= 1--     166.933                 31.547                981.312
 CID2   Fr= 1--       1.323                  1.047                  1.810
 Raman3 Fr= 1--     252.438                 60.289               1084.265
 ROA3   Fr= 1--     431.791                -10.133               3619.386
 CID3   Fr= 1--       1.710                 -0.168                  3.338
 RC180  Fr= 1--       0.471                  0.584                  0.063
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.24   0.02    -0.20   0.13   0.01    -0.15   0.11   0.00
     2   6     0.20   0.17  -0.04     0.20   0.03  -0.02     0.17   0.01  -0.02
     3   6    -0.06   0.16  -0.01     0.20  -0.13  -0.01     0.23  -0.11  -0.01
     4   6    -0.08  -0.27   0.04    -0.01   0.00   0.00    -0.25   0.07   0.02
     5   6     0.07   0.27  -0.03    -0.03  -0.02   0.01     0.25  -0.09  -0.02
     6   6    -0.15  -0.09   0.02    -0.20   0.02   0.02    -0.24   0.06   0.02
     7   6     0.14   0.09  -0.02    -0.23   0.01   0.02     0.22  -0.05  -0.02
     8   6    -0.17  -0.15   0.03     0.24   0.06  -0.03    -0.16  -0.03   0.02
     9   6    -0.05   0.24  -0.02    -0.20   0.11   0.01     0.13  -0.08  -0.00
    10   6     0.10  -0.17   0.01     0.21  -0.12  -0.01    -0.21   0.10   0.01
    11   6     0.00  -0.02   0.00     0.02  -0.02  -0.00    -0.01   0.01   0.00
    12   8     0.00   0.02  -0.00     0.02  -0.02  -0.00     0.01  -0.01   0.00
    13   6    -0.01  -0.01   0.00     0.02  -0.00  -0.00     0.02  -0.01  -0.00
    14   1    -0.25  -0.19   0.04    -0.16  -0.27   0.04    -0.08  -0.19   0.03
    15   1     0.23   0.05  -0.03    -0.29   0.05   0.02    -0.31   0.10   0.02
    16   1     0.11  -0.20   0.01     0.17  -0.13  -0.00     0.29  -0.15  -0.02
    17   1    -0.13   0.20  -0.01     0.18  -0.17  -0.00    -0.25   0.14   0.01
    18   1     0.18   0.15  -0.03    -0.19  -0.31   0.05     0.09   0.18  -0.03
    19   1    -0.33  -0.02   0.04    -0.33   0.07   0.03     0.33  -0.10  -0.03
    20   1     0.19   0.06  -0.01     0.12   0.03  -0.01    -0.08  -0.02   0.01
    21   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    22   6    -0.00  -0.00  -0.00    -0.01   0.02  -0.01     0.01  -0.01   0.01
    23   1    -0.03   0.03   0.00     0.01   0.03  -0.00     0.01   0.02  -0.00
    24   1     0.01   0.01  -0.02    -0.06   0.05  -0.04    -0.05   0.04  -0.03
    25   1     0.01   0.01   0.01    -0.05   0.06   0.04    -0.04   0.05   0.03
    26   1    -0.02   0.01  -0.00    -0.03  -0.00   0.01     0.02   0.00  -0.01
    27   1     0.02   0.01  -0.03    -0.00   0.00  -0.01    -0.01  -0.00   0.01
    28   1    -0.00   0.02   0.02     0.01  -0.00   0.03    -0.00  -0.01  -0.02
    29   8     0.00  -0.00   0.00     0.01  -0.01   0.01    -0.00   0.01  -0.01
    30   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    31   1    -0.00   0.01  -0.00    -0.00   0.01  -0.00     0.00  -0.01   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1808.2370              3008.3383              3045.5832
 Red. masses --      9.5572                 1.0348                 1.0364
 Frc consts  --     18.4116                 5.5175                 5.6638
 IR Inten    --    361.2354                68.5769                29.1135
 RamAct Fr= 1--     57.5457               276.4340               304.7053
  Dep-P Fr= 1--      0.2157                 0.0495                 0.0951
  Dep-U Fr= 1--      0.3548                 0.0943                 0.1737
 Alpha2 Fr= 1--      0.7494                 5.4674                 5.3988
 Beta2  Fr= 1--      3.4031                 4.3433                 8.8227
 AlphaG Fr= 1--      0.5882                 0.7079                -1.9217
 Gamma2 Fr= 1--     11.9503                 0.7669                -2.0468
 Delta2 Fr= 1--     -7.2993                -1.2301                 0.9796
 Raman1 Fr= 1--     230.183               1105.736               1218.821
 ROA1   Fr= 1--     913.652                 34.254               -165.142
 CID1   Fr= 1--       3.969                  0.031                 -0.135
 Raman2 Fr= 1--      40.837                 52.119                105.872
 ROA2   Fr= 1--     345.202                 28.245                -56.959
 CID2   Fr= 1--       8.453                  0.542                 -0.538
 Raman3 Fr= 1--      81.674                104.238                211.745
 ROA3   Fr= 1--     913.652                 34.254               -165.142
 CID3   Fr= 1--      11.187                  0.329                 -0.780
 RC180  Fr= 1--      -0.290                 -0.811                 -0.653
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.01   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     8   6     0.01   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     9   6    -0.03   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   6     0.02  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6    -0.03   0.01  -0.07    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.01   0.05  -0.00     0.00  -0.00  -0.00
    14   1    -0.00  -0.00   0.00    -0.02   0.02  -0.00     0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    16   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1     0.01  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1    -0.01  -0.02   0.02     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1    -0.04   0.01   0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
    20   1     0.13   0.03   0.22     0.00  -0.00  -0.00    -0.01   0.02   0.00
    21   6    -0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.03  -0.01   0.04
    22   6     0.33  -0.31   0.54     0.00   0.00   0.00    -0.00  -0.00  -0.00
    23   1    -0.00   0.00   0.00     0.26   0.13  -0.04    -0.00  -0.00   0.00
    24   1     0.00  -0.00   0.00    -0.12  -0.42  -0.51     0.00   0.00   0.00
    25   1    -0.00  -0.00  -0.00    -0.01  -0.32   0.60     0.00   0.00  -0.00
    26   1    -0.02  -0.02   0.00    -0.00  -0.00  -0.00    -0.21  -0.27  -0.46
    27   1    -0.01  -0.00   0.00    -0.00   0.00   0.00    -0.17   0.39   0.03
    28   1     0.00  -0.01   0.03     0.00   0.00  -0.00     0.69   0.05  -0.05
    29   8    -0.20   0.22  -0.33    -0.00   0.00  -0.00     0.00   0.00   0.00
    30   8    -0.03   0.03  -0.04    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    31   1     0.11  -0.46   0.08    -0.00   0.00  -0.00    -0.00   0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3064.1576              3083.8909              3106.9101
 Red. masses --      1.1058                 1.0851                 1.1020
 Frc consts  --      6.1174                 6.0800                 6.2673
 IR Inten    --     36.5745                 4.6656                28.2040
 RamAct Fr= 1--     97.4406                70.7050               149.1443
  Dep-P Fr= 1--      0.7499                 0.2200                 0.6772
  Dep-U Fr= 1--      0.8571                 0.3607                 0.8076
 Alpha2 Fr= 1--      0.0001                 0.9100                 0.1917
 Beta2  Fr= 1--     13.9194                 4.2504                20.0739
 AlphaG Fr= 1--      0.0518                 0.4836                 0.4750
 Gamma2 Fr= 1--      3.2197                -4.5562                -6.0318
 Delta2 Fr= 1--      2.8202                -1.1411                 1.2003
 Raman1 Fr= 1--     389.762                282.820                596.577
 ROA1   Fr= 1--     399.343               -473.909               -540.640
 CID1   Fr= 1--       1.025                 -1.676                 -0.906
 Raman2 Fr= 1--     167.032                 51.005                240.886
 ROA2   Fr= 1--      54.712               -100.220               -154.364
 CID2   Fr= 1--       0.328                 -1.965                 -0.641
 Raman3 Fr= 1--     334.065                102.010                481.773
 ROA3   Fr= 1--     399.343               -473.909               -540.640
 CID3   Fr= 1--       1.195                 -4.646                 -1.122
 RC180  Fr= 1--       0.714                 -0.279                  0.615
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     9   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   6     0.00  -0.00  -0.00     0.03  -0.07  -0.01    -0.00   0.00  -0.00
    12   8     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.01  -0.01  -0.09     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.00     0.02  -0.02  -0.00    -0.00   0.00  -0.00
    19   1     0.00   0.00  -0.00     0.00   0.01  -0.00     0.00   0.00  -0.00
    20   1    -0.00   0.00   0.00    -0.40   0.88   0.07     0.03  -0.06  -0.00
    21   6     0.00   0.00  -0.00    -0.01   0.02   0.00    -0.08  -0.02  -0.04
    22   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   1    -0.00  -0.00  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1     0.14   0.46   0.52    -0.00  -0.00  -0.00     0.00   0.00   0.00
    25   1    -0.03  -0.34   0.61     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1     0.00   0.00   0.00    -0.01  -0.01  -0.02     0.24   0.33   0.57
    27   1     0.00  -0.00  -0.00     0.08  -0.19  -0.01     0.05  -0.16  -0.02
    28   1    -0.00  -0.00   0.00     0.07   0.01  -0.00     0.68   0.05  -0.06
    29   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    30   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    31   1     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3131.1859              3134.4976              3165.8144
 Red. masses --      1.1003                 1.0988                 1.0863
 Frc consts  --      6.3562                 6.3604                 6.4146
 IR Inten    --     15.2651                25.1774                 3.9294
 RamAct Fr= 1--     31.4462               191.8945                68.4428
  Dep-P Fr= 1--      0.4886                 0.4457                 0.7349
  Dep-U Fr= 1--      0.6564                 0.6166                 0.8472
 Alpha2 Fr= 1--      0.1636                 1.1968                 0.0176
 Beta2  Fr= 1--      3.4404                19.7200                 9.6643
 AlphaG Fr= 1--     -0.3369                -0.2229                -0.0567
 Gamma2 Fr= 1--     -0.8536                -0.4704                -4.3631
 Delta2 Fr= 1--     -0.9353                -1.1865                 2.0693
 Raman1 Fr= 1--     125.785                767.578                273.771
 ROA1   Fr= 1--    -111.880                -83.122               -352.641
 CID1   Fr= 1--      -0.889                 -0.108                 -1.288
 Raman2 Fr= 1--      41.284                236.640                115.972
 ROA2   Fr= 1--     -13.005                 -1.796               -121.269
 CID2   Fr= 1--      -0.315                 -0.008                 -1.046
 Raman3 Fr= 1--      82.569                473.279                231.943
 ROA3   Fr= 1--    -111.880                -83.122               -352.641
 CID3   Fr= 1--      -1.355                 -0.176                 -1.520
 RC180  Fr= 1--       0.313                  0.233                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.06   0.01
     8   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.04   0.05  -0.00
     9   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    10   6     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   6     0.01  -0.02  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    13   6     0.00   0.00  -0.00    -0.07  -0.05   0.01    -0.00  -0.00   0.00
    14   1    -0.00   0.00   0.00     0.02  -0.02   0.00     0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.05   0.01
    16   1     0.00   0.00  -0.00     0.00   0.01  -0.00     0.00   0.00  -0.00
    17   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.24   0.65  -0.09
    18   1     0.01  -0.02   0.00     0.00  -0.00   0.00     0.45  -0.54   0.02
    19   1    -0.02  -0.06   0.01     0.00  -0.00   0.00     0.01   0.02  -0.00
    20   1    -0.08   0.19   0.01    -0.00   0.00   0.00     0.01  -0.03  -0.00
    21   6     0.03  -0.08  -0.03     0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    23   1    -0.01  -0.00   0.00     0.86   0.41  -0.13     0.00   0.00  -0.00
    24   1    -0.00  -0.00  -0.00     0.03   0.11   0.15     0.00   0.00   0.00
    25   1     0.00  -0.00   0.00    -0.01   0.08  -0.17    -0.00   0.00  -0.00
    26   1     0.15   0.18   0.33     0.00   0.00   0.00    -0.00  -0.00  -0.00
    27   1    -0.34   0.79   0.03    -0.00   0.01   0.00     0.00  -0.01  -0.00
    28   1    -0.19  -0.03   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    29   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3170.2965              3179.4823              3182.8696
 Red. masses --      1.0890                 1.0894                 1.0944
 Frc consts  --      6.4490                 6.4887                 6.5322
 IR Inten    --      5.3200                11.0683                11.4679
 RamAct Fr= 1--     46.5589                51.5234               128.1897
  Dep-P Fr= 1--      0.4918                 0.4884                 0.2190
  Dep-U Fr= 1--      0.6593                 0.6563                 0.3593
 Alpha2 Fr= 1--      0.2388                 0.2683                 1.6545
 Beta2  Fr= 1--      5.1160                 5.6356                 7.6770
 AlphaG Fr= 1--      0.0713                 0.1775                -0.4925
 Gamma2 Fr= 1--      1.5434                 5.4960                -3.8570
 Delta2 Fr= 1--     -0.4680                 2.1736                -1.0903
 Raman1 Fr= 1--     186.236                206.094                512.759
 ROA1   Fr= 1--     133.192                597.175               -405.161
 CID1   Fr= 1--       0.715                  2.898                 -0.790
 Raman2 Fr= 1--      61.392                 67.627                 92.125
 ROA2   Fr= 1--      40.786                114.515                -83.845
 CID2   Fr= 1--       0.664                  1.693                 -0.910
 Raman3 Fr= 1--     122.784                135.255                184.249
 ROA3   Fr= 1--     133.192                597.175               -405.161
 CID3   Fr= 1--       1.085                  4.415                 -2.199
 RC180  Fr= 1--       0.319                  0.313                 -0.281
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.01   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.02  -0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.03  -0.08   0.01    -0.01  -0.01   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.00  -0.01   0.00    -0.02  -0.05   0.01
     8   6    -0.00   0.00  -0.00     0.01  -0.01   0.00     0.04  -0.04   0.00
     9   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    10   6     0.01   0.01  -0.00    -0.03  -0.08   0.01     0.00   0.02  -0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1     0.11  -0.15   0.00     0.03  -0.03   0.00    -0.00   0.01  -0.00
    15   1     0.02   0.05  -0.01     0.00   0.01  -0.00    -0.11  -0.29   0.04
    16   1     0.33   0.89  -0.12     0.06   0.17  -0.02    -0.00  -0.01   0.00
    17   1    -0.00  -0.00   0.00     0.04   0.11  -0.02     0.23   0.60  -0.09
    18   1     0.01  -0.01   0.00    -0.10   0.12  -0.00    -0.42   0.51  -0.01
    19   1    -0.06  -0.17   0.02     0.33   0.89  -0.11    -0.06  -0.17   0.02
    20   1     0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.01   0.02   0.00
    21   6    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.00   0.00   0.00
    22   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    23   1    -0.01  -0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00     0.01   0.01   0.01    -0.00  -0.00  -0.00
    27   1     0.01  -0.01  -0.00    -0.02   0.06   0.00     0.00  -0.00  -0.00
    28   1     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    29   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   8     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3186.9783              3214.7815              3728.7439
 Red. masses --      1.0905                 1.0911                 1.0641
 Frc consts  --      6.5260                 6.6438                 8.7165
 IR Inten    --      7.7096                 7.8298                69.0306
 RamAct Fr= 1--    198.6502               133.2758               163.8068
  Dep-P Fr= 1--      0.2268                 0.2524                 0.2666
  Dep-U Fr= 1--      0.3697                 0.4031                 0.4210
 Alpha2 Fr= 1--      2.5104                 1.5689                 1.8523
 Beta2  Fr= 1--     12.2400                 8.9534                11.4932
 AlphaG Fr= 1--     -0.5508                 0.2760                 1.1649
 Gamma2 Fr= 1--     -1.7630                 1.9080                16.9494
 Delta2 Fr= 1--     -0.9205                 0.6331                -5.5200
 Raman1 Fr= 1--     794.601                533.103                655.227
 ROA1   Fr= 1--    -198.702                203.426               1450.497
 CID1   Fr= 1--      -0.250                  0.382                  2.214
 Raman2 Fr= 1--     146.880                107.441                137.919
 ROA2   Fr= 1--     -34.947                 40.727                450.945
 CID2   Fr= 1--      -0.238                  0.379                  3.270
 Raman3 Fr= 1--     293.760                214.882                275.838
 ROA3   Fr= 1--    -198.702                203.426               1450.497
 CID3   Fr= 1--      -0.676                  0.947                  5.259
 RC180  Fr= 1--      -0.261                 -0.194                 -0.158
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.05  -0.07   0.00     0.00   0.00  -0.00
     3   6    -0.03  -0.08   0.01    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.00  -0.00    -0.01  -0.02   0.00     0.00   0.00  -0.00
     7   6    -0.01  -0.02   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.01  -0.01   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    10   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    11   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    12   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1    -0.00   0.00   0.00    -0.61   0.76  -0.01     0.00  -0.00   0.00
    15   1     0.34   0.87  -0.12     0.00   0.01  -0.00     0.00   0.00  -0.00
    16   1    -0.02  -0.05   0.01     0.07   0.17  -0.02    -0.00  -0.00   0.00
    17   1     0.08   0.23  -0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1    -0.11   0.14  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   1    -0.02  -0.05   0.01     0.00   0.01  -0.00    -0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    22   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   1    -0.00  -0.00   0.00     0.01   0.01  -0.00     0.00   0.00  -0.00
    24   1    -0.00   0.00   0.00     0.01   0.01   0.02    -0.00  -0.00  -0.00
    25   1    -0.00   0.00  -0.00     0.00   0.01  -0.02     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    27   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    28   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    29   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    30   8     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.02  -0.02  -0.05
    31   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.36   0.31   0.88

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  8 and mass  15.99491
 Atom    30 has atomic number  8 and mass  15.99491
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1413.160478595.740719106.36968
           X            0.99993  -0.00576  -0.01068
           Y            0.00565   0.99993  -0.00995
           Z            0.01074   0.00989   0.99989
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06129     0.01008     0.00951
 Rotational constants (GHZ):           1.27710     0.20996     0.19818
 Zero-point vibrational energy     658224.9 (Joules/Mol)
                                  157.31952 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     19.83    56.16    70.94   107.33   166.62
          (Kelvin)            200.39   262.35   281.43   332.49   334.59
                              357.15   390.95   438.01   504.56   566.93
                              600.01   608.45   673.54   695.19   769.98
                              801.93   831.46   858.12   888.37   915.95
                              985.55   995.54  1090.27  1120.35  1150.92
                             1172.59  1176.94  1211.72  1225.38  1289.66
                             1319.38  1348.13  1366.16  1384.07  1410.83
                             1457.92  1531.50  1541.18  1591.44  1668.92
                             1687.19  1688.63  1708.79  1711.21  1725.14
                             1736.28  1814.10  1865.99  1877.33  1904.90
                             1938.16  1941.21  1998.84  2019.07  2032.47
                             2041.16  2096.13  2129.17  2150.91  2151.97
                             2162.00  2168.14  2193.24  2226.53  2315.28
                             2377.23  2411.82  2601.65  4328.33  4381.91
                             4408.64  4437.03  4470.15  4505.08  4509.84
                             4554.90  4561.35  4574.57  4579.44  4585.35
                             4625.35  5364.83
 
 Zero-point correction=                           0.250705 (Hartree/Particle)
 Thermal correction to Energy=                    0.266022
 Thermal correction to Enthalpy=                  0.266966
 Thermal correction to Gibbs Free Energy=         0.206297
 Sum of electronic and zero-point Energies=           -767.722578
 Sum of electronic and thermal Energies=              -767.707261
 Sum of electronic and thermal Enthalpies=            -767.706317
 Sum of electronic and thermal Free Energies=         -767.766985
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.931             58.703            127.688
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             33.070
 Vibrational            165.154             52.741             52.416
 Vibration     1          0.593              1.986              7.374
 Vibration     2          0.594              1.981              5.308
 Vibration     3          0.595              1.978              4.845
 Vibration     4          0.599              1.966              4.028
 Vibration     5          0.608              1.936              3.169
 Vibration     6          0.615              1.914              2.814
 Vibration     7          0.630              1.864              2.304
 Vibration     8          0.636              1.846              2.174
 Vibration     9          0.653              1.793              1.870
 Vibration    10          0.653              1.791              1.859
 Vibration    11          0.662              1.766              1.743
 Vibration    12          0.675              1.725              1.585
 Vibration    13          0.695              1.665              1.392
 Vibration    14          0.728              1.574              1.163
 Vibration    15          0.761              1.483              0.985
 Vibration    16          0.780              1.433              0.902
 Vibration    17          0.785              1.420              0.882
 Vibration    18          0.825              1.321              0.743
 Vibration    19          0.839              1.287              0.702
 Vibration    20          0.890              1.172              0.576
 Vibration    21          0.913              1.124              0.529
 Vibration    22          0.934              1.079              0.489
 Vibration    23          0.954              1.039              0.456
 Vibration    24          0.977              0.995              0.421
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.128798D-94        -94.890089       -218.492505
 Total V=0       0.266640D+21         20.425925         47.032431
 Vib (Bot)       0.249369-109       -109.603158       -252.370597
 Vib (Bot)    1  0.150337D+02          1.177067          2.710297
 Vib (Bot)    2  0.530147D+01          0.724397          1.667985
 Vib (Bot)    3  0.419277D+01          0.622501          1.433362
 Vib (Bot)    4  0.276301D+01          0.441382          1.016320
 Vib (Bot)    5  0.176635D+01          0.247078          0.568917
 Vib (Bot)    6  0.146018D+01          0.164406          0.378558
 Vib (Bot)    7  0.110062D+01          0.041636          0.095870
 Vib (Bot)    8  0.102106D+01          0.009052          0.020843
 Vib (Bot)    9  0.851884D+00         -0.069620         -0.160305
 Vib (Bot)   10  0.845994D+00         -0.072633         -0.167243
 Vib (Bot)   11  0.786894D+00         -0.104084         -0.239662
 Vib (Bot)   12  0.710607D+00         -0.148371         -0.341636
 Vib (Bot)   13  0.623134D+00         -0.205419         -0.472994
 Vib (Bot)   14  0.525876D+00         -0.279117         -0.642690
 Vib (Bot)   15  0.454303D+00         -0.342654         -0.788990
 Vib (Bot)   16  0.422007D+00         -0.374680         -0.862733
 Vib (Bot)   17  0.414287D+00         -0.382699         -0.881196
 Vib (Bot)   18  0.360874D+00         -0.442644         -1.019226
 Vib (Bot)   19  0.345193D+00         -0.461939         -1.063653
 Vib (Bot)   20  0.297404D+00         -0.526653         -1.212664
 Vib (Bot)   21  0.279563D+00         -0.553520         -1.274527
 Vib (Bot)   22  0.264239D+00         -0.578003         -1.330900
 Vib (Bot)   23  0.251279D+00         -0.599845         -1.381193
 Vib (Bot)   24  0.237484D+00         -0.624365         -1.437653
 Vib (V=0)       0.516246D+06          5.712857         13.154339
 Vib (V=0)    1  0.155421D+02          1.191508          2.743549
 Vib (V=0)    2  0.582500D+01          0.765296          1.762159
 Vib (V=0)    3  0.472248D+01          0.674170          1.552334
 Vib (V=0)    4  0.330788D+01          0.519550          1.196308
 Vib (V=0)    5  0.233576D+01          0.368428          0.848336
 Vib (V=0)    6  0.204341D+01          0.310356          0.714621
 Vib (V=0)    7  0.170887D+01          0.232708          0.535830
 Vib (V=0)    8  0.163691D+01          0.214025          0.492811
 Vib (V=0)    9  0.148778D+01          0.172538          0.397284
 Vib (V=0)   10  0.148270D+01          0.171054          0.393867
 Vib (V=0)   11  0.143231D+01          0.156037          0.359289
 Vib (V=0)   12  0.136889D+01          0.136367          0.313997
 Vib (V=0)   13  0.129893D+01          0.113587          0.261544
 Vib (V=0)   14  0.122563D+01          0.088361          0.203459
 Vib (V=0)   15  0.117557D+01          0.070248          0.161751
 Vib (V=0)   16  0.115429D+01          0.062313          0.143482
 Vib (V=0)   17  0.114933D+01          0.060446          0.139182
 Vib (V=0)   18  0.111663D+01          0.047909          0.110313
 Vib (V=0)   19  0.110758D+01          0.044377          0.102181
 Vib (V=0)   20  0.108176D+01          0.034132          0.078593
 Vib (V=0)   21  0.107285D+01          0.030538          0.070317
 Vib (V=0)   22  0.106553D+01          0.027565          0.063471
 Vib (V=0)   23  0.105959D+01          0.025138          0.057882
 Vib (V=0)   24  0.105353D+01          0.022648          0.052149
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.376492D+07          6.575756         15.141237
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3            3333333333333                             111111111111111111111111111111111                                        
     7            2111111110000                             866655554444444333332221111111000999998888887766665555444433322221111    
     2            1887763308640                             0750420099851108442096098877607618653195411075983197538621950743398317431
     9            5739064174468                             8629847365079339974571799843061431207762285098257768753837414283162965994
 
     X            XXXXXXXXXXXXX                             XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
     X                    X XXX                             XXX X X         X  X X XXXX X XXX     X           XX                     
     X                        X                             XXX X X            X X XXXX   XX                  X                      
     X                        X                             XXX X              X X XX                                                
                                                            X X                X                                                     
                                                            X X                X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000389    0.000001424   -0.000000038
      2        6           0.000000144   -0.000000742   -0.000000096
      3        6          -0.000001098   -0.000000526    0.000000059
      4        6           0.000000500    0.000000285    0.000000187
      5        6           0.000000395    0.000000199   -0.000000347
      6        6          -0.000000318   -0.000000418    0.000000172
      7        6          -0.000001379   -0.000001039    0.000000095
      8        6           0.000000228    0.000000638    0.000000125
      9        6          -0.000000186    0.000000675   -0.000000349
     10        6          -0.000000081   -0.000000802    0.000000272
     11        6           0.000000188   -0.000000131    0.000000473
     12        8          -0.000000119    0.000000109   -0.000000101
     13        6           0.000000311   -0.000000081    0.000000818
     14        1          -0.000000048    0.000000444   -0.000000092
     15        1          -0.000000006    0.000000374   -0.000000092
     16        1           0.000000269    0.000000444   -0.000000095
     17        1           0.000000103    0.000000767   -0.000000068
     18        1           0.000000203   -0.000000709    0.000000054
     19        1           0.000000188    0.000000207   -0.000000058
     20        1           0.000000102   -0.000000320   -0.000000003
     21        6          -0.000000637   -0.000000792    0.000000022
     22        6          -0.000000766   -0.000000261   -0.000000945
     23        1           0.000000155    0.000000503   -0.000000250
     24        1           0.000000003    0.000000232   -0.000000364
     25        1           0.000000003    0.000000660   -0.000000620
     26        1           0.000000069   -0.000000092    0.000000166
     27        1          -0.000000030    0.000000060    0.000000020
     28        1           0.000000719   -0.000000290    0.000000072
     29        8           0.000000389   -0.000000517    0.000000674
     30        8           0.000000514   -0.000000005    0.000000823
     31        1          -0.000000202   -0.000000296   -0.000000514
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000001424 RMS     0.000000462
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.312154D+03 -0.211873D+02 -0.832038D+01
      2  -0.211873D+02  0.187375D+03 -0.486432D+01
      3  -0.832038D+01 -0.486432D+01  0.124834D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.132287D+02  0.205893D+02  0.319695D+01
      2  -0.886304D+02 -0.310216D+01 -0.271128D+02
      3   0.118681D+03 -0.440501D+02 -0.424496D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.459570D+03 -0.122618D+03 -0.940413D+02
      2  -0.196691D+03  0.101232D+03  0.888566D+01
      3  -0.262879D+03  0.213865D+02  0.851556D+02
      4  -0.775823D+02  0.930877D+02 -0.743583D+01
      5  -0.132224D+02 -0.117893D+01 -0.891001D+02
      6  -0.544326D+01  0.195593D+02 -0.247313D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.413218D+02 -0.807070D+01 -0.974685D+00 -0.397971D+01  0.364985D+01
      2  -0.807070D+01  0.106900D+02 -0.107467D+00  0.364985D+01 -0.140567D+02
      3  -0.974685D+00 -0.107467D+00  0.432317D+01  0.333932D+00  0.154753D+01
                 6             7             8             9            10 
      1   0.333932D+00 -0.217656D+01  0.108960D+01  0.774140D+01  0.311418D+01
      2   0.154753D+01  0.108960D+01  0.954363D-01 -0.144191D+01  0.107801D+01
      3  -0.655365D-01  0.774140D+01 -0.144191D+01 -0.146237D+01 -0.203546D-01
                11            12            13            14            15 
      1   0.107801D+01 -0.203546D-01 -0.181728D+02  0.366042D+01  0.125260D+01
      2   0.113252D+02 -0.163841D+01  0.366042D+01  0.345096D+01 -0.145611D+01
      3  -0.163841D+01  0.274823D+01  0.125260D+01 -0.145611D+01 -0.189536D+01
                16            17            18            19            20 
      1   0.221260D+01 -0.412974D+00  0.395597D+01 -0.418936D+02  0.135439D+02
      2  -0.412974D+00 -0.216935D+01 -0.292787D+01  0.135439D+02 -0.938193D+01
      3   0.395597D+01 -0.292787D+01 -0.300445D+00  0.125929D+01  0.599920D+00
                21            22            23            24            25 
      1   0.125929D+01  0.225394D+02 -0.628442D+01 -0.588386D+00  0.199376D+01
      2   0.599920D+00 -0.628442D+01  0.791859D+01  0.381024D+00 -0.181125D+00
      3  -0.500899D+00 -0.588386D+00  0.381024D+00  0.273168D+01  0.773894D+00
                26            27            28            29            30 
      1  -0.181125D+00  0.773894D+00  0.427798D+02 -0.123442D+02 -0.114206D+01
      2   0.107922D+01  0.464224D+01 -0.123442D+02  0.352911D+01  0.456751D+00
      3   0.464224D+01 -0.139871D+01 -0.114206D+01  0.456751D+00 -0.270059D-01
                31            32            33            34            35 
      1   0.435416D+02 -0.741767D+01 -0.302134D+01 -0.856310D+01  0.228110D+01
      2  -0.741767D+01  0.809132D+01  0.280193D+00  0.228110D+01 -0.984648D+00
      3  -0.302134D+01  0.280193D+00 -0.286376D+00  0.127409D+01  0.944029D+00
                36            37            38            39            40 
      1   0.127409D+01 -0.463850D+02  0.120574D+02  0.120012D+01 -0.399260D+02
      2   0.944029D+00  0.120574D+02 -0.767110D+01 -0.622987D+00  0.679690D+01
      3  -0.191978D+00  0.120012D+01 -0.622987D+00  0.148803D+00  0.277465D+01
                41            42            43            44            45 
      1   0.679690D+01  0.277465D+01  0.869971D+01 -0.189766D+01 -0.133029D+01
      2  -0.582785D+01 -0.103536D+00 -0.189766D+01  0.122419D+01 -0.865848D+00
      3  -0.103536D+00  0.119533D+00 -0.133029D+01 -0.865848D+00  0.327523D+00
                46            47            48            49            50 
      1  -0.108504D+01 -0.273066D+01  0.812011D+00 -0.402916D+01  0.458701D+01
      2  -0.273066D+01 -0.585646D+01  0.363627D+00  0.458701D+01 -0.306269D+01
      3   0.812011D+00  0.363627D+00 -0.252280D+01 -0.807905D+00 -0.811139D+00
                51            52            53            54            55 
      1  -0.807905D+00  0.893792D+00 -0.612197D+00 -0.360832D+00  0.472054D+01
      2  -0.811139D+00 -0.612197D+00  0.210392D-01 -0.437098D+01  0.170963D+01
      3  -0.145931D+01 -0.360832D+00 -0.437098D+01  0.154895D+01 -0.157594D+01
                56            57            58            59            60 
      1   0.170963D+01 -0.157594D+01  0.260164D+01 -0.455978D+01  0.782922D+00
      2   0.109046D+02  0.995683D-01 -0.455978D+01  0.977374D+00  0.904669D+00
      3   0.995683D-01  0.211774D+01  0.782922D+00  0.904669D+00  0.160945D+01
                61            62            63            64            65 
      1  -0.823957D+00  0.891305D+00  0.885468D+00 -0.340093D+00 -0.170730D+01
      2   0.891305D+00 -0.381240D-01  0.487874D+01 -0.170730D+01 -0.156185D+02
      3   0.885468D+00  0.487874D+01 -0.154928D+01  0.133506D+00  0.127047D+01
                66            67            68            69            70 
      1   0.133506D+00  0.163731D+02 -0.818590D+00 -0.846014D+00 -0.595392D+01
      2   0.127047D+01 -0.818590D+00 -0.718300D+01  0.131573D+01 -0.351102D-01
      3  -0.291923D+01 -0.846014D+00  0.131573D+01  0.152956D+01 -0.603517D+01
                71            72            73            74            75 
      1  -0.351102D-01 -0.603517D+01 -0.624802D+02  0.630473D+01  0.195752D+01
      2   0.321038D+01  0.280288D+01  0.630473D+01 -0.550629D+01  0.321927D+00
      3   0.280288D+01  0.850295D+00  0.195752D+01  0.321927D+00 -0.173615D+01
                76            77            78            79            80 
      1   0.846220D+01 -0.400573D+01 -0.954016D+00  0.248417D+01 -0.102531D+01
      2  -0.400573D+01  0.177453D+02 -0.144744D+01 -0.102531D+01 -0.910632D+00
      3  -0.954016D+00 -0.144744D+01 -0.513120D+00 -0.649823D+01  0.742690D+00
                81            82            83            84            85 
      1  -0.649823D+01  0.517555D+02 -0.127017D+02 -0.145387D+01 -0.281837D+02
      2   0.742690D+00 -0.127017D+02  0.116207D+02 -0.521572D+00  0.368216D+01
      3   0.119984D+01 -0.145387D+01 -0.521572D+00  0.270781D+00  0.581308D+00
                86            87            88            89            90 
      1   0.368216D+01  0.581308D+00 -0.480691D+01  0.109153D+00 -0.580636D+00
      2  -0.766972D+01  0.166052D+00  0.109153D+00 -0.883406D+00 -0.331328D+01
      3   0.166052D+00 -0.198265D+01 -0.580636D+00 -0.331328D+01  0.136802D+01
                91            92            93            94            95 
      1   0.135174D+02 -0.148227D+01 -0.103006D+01  0.786478D+01  0.246091D+01
      2  -0.148227D+01  0.236464D+01  0.165041D+00  0.246091D+01 -0.264513D+01
      3  -0.103006D+01  0.165041D+00  0.240415D+01 -0.797302D+00 -0.371492D+00
                96            97            98            99           100 
      1  -0.797302D+00  0.696489D+01  0.634406D+00  0.861329D+01 -0.115946D+02
      2  -0.371492D+00  0.634406D+00  0.262705D+00  0.291871D+01  0.481997D+01
      3   0.403157D+01  0.861329D+01  0.291871D+01 -0.336181D+00 -0.827924D-03
               101           102           103           104           105 
      1   0.481997D+01 -0.827924D-03 -0.261965D+01  0.388299D+01 -0.350939D+00
      2  -0.520834D+01  0.439789D-02  0.388299D+01  0.659281D+00 -0.506023D+00
      3   0.439789D-02 -0.540327D+00 -0.350939D+00 -0.506023D+00 -0.144582D+01
               106           107           108           109           110 
      1   0.140402D+01 -0.804353D+00 -0.222161D+00  0.179258D+01 -0.512169D+01
      2  -0.804353D+00  0.609374D+00  0.801852D+00 -0.512169D+01  0.239506D+01
      3  -0.222161D+00  0.801852D+00  0.754018D-01  0.242068D+00  0.829583D+00
               111           112           113           114           115 
      1   0.242068D+00 -0.377009D+01 -0.258832D+01  0.922325D+00 -0.374348D+00
      2   0.829583D+00 -0.258832D+01  0.182535D+01  0.117167D+01  0.102722D+01
      3  -0.537463D-01  0.922325D+00  0.117167D+01  0.654257D+01 -0.311734D+01
               116           117           118           119           120 
      1   0.102722D+01 -0.311734D+01  0.611163D+01 -0.331429D+01 -0.272254D+00
      2   0.615562D+00  0.508675D+01 -0.331429D+01  0.284082D+01  0.659471D-02
      3   0.508675D+01 -0.117772D+01 -0.272254D+00  0.659471D-02  0.186417D+00
               121           122           123           124           125 
      1  -0.475156D+01  0.476604D+01 -0.152637D+00 -0.325770D+00 -0.228156D+00
      2   0.476604D+01 -0.566981D+01  0.994941D-01 -0.228156D+00  0.277678D+00
      3  -0.152637D+00  0.994941D-01 -0.452809D+00 -0.498071D+00 -0.179626D-01
               126           127           128           129           130 
      1  -0.498071D+00  0.180400D+01  0.288290D+01 -0.405377D+00  0.349936D+01
      2  -0.179626D-01  0.288290D+01  0.232526D+01 -0.458961D+00  0.393427D+01
      3   0.136124D+00 -0.405377D+00 -0.458961D+00  0.436057D+00 -0.615832D+00
               131           132           133           134           135 
      1   0.393427D+01 -0.615832D+00 -0.545305D+00 -0.671380D+00  0.263713D+00
      2   0.792593D+01 -0.105694D+01 -0.671380D+00 -0.103490D+01  0.161545D+00
      3  -0.105694D+01  0.927348D+00  0.263713D+00  0.161545D+00 -0.150894D+00
               136           137           138           139           140 
      1  -0.487774D+00 -0.167178D+01  0.233752D+00 -0.245114D+00 -0.120970D+01
      2  -0.167178D+01 -0.242111D+01  0.415561D+00 -0.120970D+01 -0.957915D+01
      3   0.233752D+00  0.415561D+00 -0.202682D+00  0.125683D+00  0.109391D+01
               141           142           143           144           145 
      1   0.125683D+00  0.120548D+00  0.343093D+00  0.664075D-01  0.987743D+00
      2   0.109391D+01  0.343093D+00  0.124968D+01 -0.153925D+00  0.182803D+01
      3  -0.853688D+00  0.664075D-01 -0.153925D+00  0.107780D+00 -0.252367D+00
               146           147           148           149           150 
      1   0.182803D+01 -0.252367D+00  0.810519D+00  0.181594D+01 -0.154232D+00
      2   0.284074D+01 -0.444007D+00  0.181594D+01  0.110185D+02 -0.114411D+01
      3  -0.444007D+00  0.214603D+00 -0.154232D+00 -0.114411D+01  0.895390D+00
               151           152           153           154           155 
      1   0.619129D+00 -0.474889D+00  0.194094D+00 -0.568923D+01  0.365554D+01
      2  -0.474889D+00 -0.144976D+01  0.130153D+00  0.365554D+01 -0.367263D+01
      3   0.194094D+00  0.130153D+00 -0.724049D-01  0.280512D+00 -0.568487D-01
               156           157           158           159           160 
      1   0.280512D+00  0.378161D+01 -0.488377D+01  0.174831D+00  0.567863D-01
      2  -0.568487D-01 -0.488377D+01  0.649341D+01 -0.242641D-02  0.343919D+00
      3  -0.341896D+00  0.174831D+00 -0.242641D-02  0.626083D+00  0.425544D+00
               161           162           163           164           165 
      1   0.343919D+00  0.425544D+00 -0.178944D+01 -0.212247D+01  0.360052D+00
      2  -0.333588D+00  0.219497D+00 -0.212247D+01 -0.916818D+00  0.262956D+00
      3   0.219497D+00 -0.233871D+00  0.360052D+00  0.262956D+00 -0.349015D+00
               166           167           168           169           170 
      1  -0.279863D+01 -0.300683D+01  0.491913D+00 -0.203746D+00  0.310516D+00
      2  -0.300683D+01 -0.566785D+01  0.804188D+00  0.310516D+00  0.403448D+00
      3   0.491913D+00  0.804188D+00 -0.862146D+00 -0.401721D+00 -0.261881D+00
               171           172           173           174           175 
      1  -0.401721D+00 -0.164272D+01  0.233780D+01  0.188482D+00  0.470928D+01
      2  -0.261881D+00  0.233780D+01 -0.173284D+01 -0.262639D+00 -0.251514D+01
      3  -0.175747D-01  0.188482D+00 -0.262639D+00 -0.891460D+00 -0.617060D+00
               176           177           178           179           180 
      1  -0.251514D+01 -0.617060D+00 -0.130386D+00 -0.293455D+00 -0.126789D+01
      2   0.507339D+01  0.402458D+00 -0.293455D+00  0.302503D+00  0.544023D+00
      3   0.402458D+00  0.989383D+00 -0.126789D+01  0.544023D+00  0.401081D+00
               181           182           183           184           185 
      1   0.114927D+02  0.160574D+01 -0.201079D+01 -0.251077D+01 -0.198261D+01
      2   0.160574D+01 -0.148012D+01 -0.492849D+00 -0.198261D+01  0.236199D+01
      3  -0.201079D+01 -0.492849D+00 -0.314492D+01  0.120467D+01 -0.311713D+00
               186           187           188           189           190 
      1   0.120467D+01  0.434095D+01  0.597597D+00 -0.489024D+01  0.723089D+01
      2  -0.311713D+00  0.597597D+00  0.269339D+00 -0.344689D+01 -0.862777D+00
      3  -0.548005D+01 -0.489024D+01 -0.344689D+01 -0.708208D+00  0.337428D+01
               191           192           193           194           195 
      1  -0.862777D+00  0.337428D+01 -0.506037D+01 -0.109161D+01 -0.310362D+01
      2  -0.512054D+00 -0.117117D+01 -0.109161D+01 -0.180235D+00 -0.106226D+00
      3  -0.117117D+01  0.137037D+01 -0.310362D+01 -0.106226D+00 -0.598345D+01
               196           197           198           199           200 
      1   0.894091D+01 -0.184535D+01  0.420221D+00  0.150406D+02  0.200547D+01
      2  -0.184535D+01 -0.359502D+00 -0.307620D+01  0.200547D+01  0.895449D+00
      3   0.420221D+00 -0.307620D+01  0.136290D+00 -0.139655D+01 -0.204700D+00
               201           202           203           204           205 
      1  -0.139655D+01  0.590974D+01  0.172485D+01 -0.540664D+00 -0.178745D+01
      2  -0.204700D+00  0.172485D+01  0.134032D+01 -0.295998D+00 -0.236053D+00
      3   0.115832D+01 -0.540664D+00 -0.295998D+00  0.334641D+00  0.181549D+01
               206           207           208           209           210 
      1  -0.236053D+00  0.181549D+01 -0.994643D+00  0.168401D+00 -0.706340D+00
      2  -0.264050D+00 -0.181763D+00  0.168401D+00 -0.667215D+00 -0.153434D+00
      3  -0.181763D+00 -0.414734D+00 -0.706340D+00 -0.153434D+00 -0.631119D+00
               211           212           213           214           215 
      1  -0.197378D+01  0.235662D+01  0.163192D+01 -0.383229D+01  0.183686D+01
      2   0.235662D+01 -0.377168D+01 -0.286008D+01  0.183686D+01 -0.280625D+01
      3   0.163192D+01 -0.286008D+01 -0.327679D+01  0.301136D+01 -0.344475D+01
               216           217           218           219           220 
      1   0.301136D+01  0.390674D+00 -0.862327D-01  0.132688D+01 -0.170545D+01
      2  -0.344475D+01 -0.862327D-01 -0.226572D+00 -0.460440D+00  0.210749D+01
      3  -0.466919D+01  0.132688D+01 -0.460440D+00  0.647075D-01 -0.160743D+01
               221           222           223           224           225 
      1   0.210749D+01 -0.160743D+01  0.562875D+01 -0.230559D+01  0.369000D+01
      2  -0.236582D+01  0.184959D+01 -0.230559D+01  0.221425D+01 -0.301428D+01
      3   0.184959D+01 -0.261676D+01  0.369000D+01 -0.301428D+01  0.546403D+01
               226           227           228           229           230 
      1   0.745968D-01  0.439569D+00  0.103647D+01  0.165294D+01  0.305688D+00
      2   0.439569D+00  0.560109D+00  0.430148D+00  0.305688D+00  0.106600D+01
      3   0.103647D+01  0.430148D+00  0.256866D+01 -0.376121D+00  0.163683D+01
               231           232           233           234           235 
      1  -0.376121D+00  0.136567D+01  0.184089D+00  0.181425D+00 -0.198187D-02
      2   0.163683D+01  0.184089D+00  0.125547D+01  0.174979D+01 -0.642527D+00
      3   0.384285D+01  0.181425D+00  0.174979D+01  0.805641D+01 -0.106939D+00
               236           237           238           239           240 
      1  -0.642527D+00 -0.106939D+00 -0.231927D+01  0.171998D-01  0.447200D+00
      2   0.112661D+01 -0.320194D+00  0.171998D-01 -0.516417D+01  0.112016D+01
      3  -0.320194D+00  0.105657D+01  0.447200D+00  0.112016D+01 -0.136272D+01
               241           242           243           244           245 
      1  -0.651224D+00 -0.240308D+00  0.504338D+00 -0.171170D+02 -0.209047D+01
      2  -0.240308D+00  0.355319D+00 -0.386454D+00 -0.209047D+01 -0.983450D+00
      3   0.504338D+00 -0.386454D+00  0.260155D+00  0.447182D+01  0.637691D+00
               246           247           248           249           250 
      1   0.447182D+01 -0.189827D+01 -0.142316D+01  0.284425D+00  0.100890D+01
      2   0.637691D+00 -0.142316D+01 -0.545404D+00  0.510767D+00  0.158750D+00
      3  -0.249865D+01  0.284425D+00  0.510767D+00  0.253550D+00 -0.156850D+01
               251           252           253           254           255 
      1   0.158750D+00 -0.156850D+01 -0.119343D+02  0.276986D+01 -0.493459D+01
      2  -0.567461D-01  0.467512D-01  0.276986D+01 -0.122724D+01  0.913327D+00
      3   0.467512D-01  0.103421D+01 -0.493459D+01  0.913327D+00 -0.290028D+01
               256           257           258           259           260 
      1   0.112281D+02 -0.185022D+01  0.328684D+01 -0.154722D+02  0.126581D+01
      2  -0.185022D+01  0.386713D+01 -0.225915D+01  0.126581D+01 -0.170551D+01
      3   0.328684D+01 -0.225915D+01  0.405329D+01 -0.669149D+01  0.279519D+01
               261           262           263           264           265 
      1  -0.669149D+01  0.268316D+01 -0.481823D+00  0.100864D+01 -0.805090D+01
      2   0.279519D+01 -0.481823D+00  0.124236D+01  0.135186D+01 -0.503494D+00
      3  -0.745310D+01  0.100864D+01  0.135186D+01  0.185964D+01  0.134433D+01
               266           267           268           269           270 
      1  -0.503494D+00  0.134433D+01  0.186615D+01  0.276105D+01  0.309747D+01
      2  -0.327384D+01  0.122643D+01  0.276105D+01  0.328556D+01  0.218590D+01
      3   0.122643D+01  0.204169D+01  0.309747D+01  0.218590D+01  0.502916D+01
               271           272           273           274           275 
      1  -0.138215D+01 -0.177602D+01 -0.160241D+01 -0.978966D+00 -0.160729D+01
      2  -0.177602D+01 -0.157811D+01 -0.121374D+01 -0.160729D+01 -0.315182D+01
      3  -0.160241D+01 -0.121374D+01 -0.166803D+01 -0.110605D+01 -0.177832D+01
               276           277           278           279 
      1  -0.110605D+01 -0.295361D+01 -0.257056D+01 -0.345161D+01
      2  -0.177832D+01 -0.257056D+01 -0.373470D+01 -0.374674D+01
      3  -0.199199D+01 -0.345161D+01 -0.374674D+01 -0.585864D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.553897D+00  0.548097D+01 -0.274903D+01  0.531875D+01 -0.142608D+01
      2  -0.133034D+02  0.514811D+01  0.218211D+01  0.831507D+01 -0.459840D+01
      3   0.971977D+01  0.173944D+02 -0.164898D+01  0.474424D+02 -0.538355D+01
                 6             7             8             9            10 
      1   0.389155D+01 -0.543082D+00  0.160279D+02 -0.178519D+01 -0.532828D+00
      2  -0.168695D+00  0.429055D+01  0.273611D+01 -0.281655D+01 -0.136577D+01
      3  -0.330606D+01 -0.535646D+01 -0.275418D+01  0.460468D+01 -0.269974D+02
                11            12            13            14            15 
      1   0.408140D+01  0.621293D+01 -0.666496D+00 -0.263223D+00 -0.224371D+01
      2   0.174888D+01  0.848896D+01  0.218673D+01 -0.247633D+01 -0.524661D+01
      3   0.366775D+01 -0.154073D+00 -0.268155D+02 -0.111492D+02  0.371222D+01
                16            17            18            19            20 
      1   0.125797D+02  0.503945D+01 -0.300211D+01 -0.240259D+01 -0.454711D+01
      2  -0.581992D+01 -0.128019D+02  0.214806D+00  0.127065D+02 -0.690398D+01
      3   0.469415D+01  0.152894D+01  0.543166D-01 -0.368341D+02 -0.296665D+02
                21            22            23            24            25 
      1   0.998816D+00 -0.136262D+01  0.270174D+01 -0.376885D+01 -0.820796D+01
      2   0.338400D+01 -0.857003D+01  0.656061D+01  0.553770D+01 -0.169584D+02
      3   0.456836D+01  0.847850D+01  0.106441D+02 -0.293218D+01  0.444507D+01
                26            27            28            29            30 
      1   0.305204D+01  0.101195D+01  0.881496D+00  0.510246D+01 -0.984856D+00
      2   0.196465D+02 -0.255269D+01 -0.187681D+02  0.943227D+01 -0.527948D+01
      3  -0.126038D+01 -0.977466D+01  0.329770D+02  0.401293D+02 -0.599529D+01
                31            32            33            34            35 
      1   0.557305D+01  0.462373D-01  0.135750D+01 -0.635935D+01  0.643090D+01
      2  -0.613823D+01 -0.251064D+01  0.682448D+00 -0.211150D+02  0.222677D+01
      3   0.775029D+02 -0.320920D+02 -0.276817D+01 -0.861910D+01 -0.199278D+01
                36            37            38            39            40 
      1   0.123543D+00 -0.167756D+01  0.349176D+01 -0.114038D+01  0.330140D+01
      2   0.199106D+01  0.159381D+02  0.281546D+01 -0.909144D-01  0.113862D+02
      3   0.493239D+00 -0.293411D+02  0.493485D+02 -0.527917D+01  0.243831D+02
                41            42            43            44            45 
      1  -0.398752D+01 -0.153132D+00 -0.429843D+01  0.768192D+01 -0.280700D+00
      2  -0.510570D+01 -0.293199D+00 -0.240889D+02  0.296674D+01  0.136784D+01
      3  -0.317893D+02  0.154480D+01  0.367671D+01 -0.258388D+01  0.100560D+01
                46            47            48            49            50 
      1   0.273463D+01 -0.560539D+01 -0.535866D+01 -0.133460D+01  0.238950D+01
      2  -0.230387D+01 -0.505152D+01 -0.659999D+01 -0.417922D+00  0.229184D+01
      3   0.449489D+02 -0.353954D+02  0.353631D+01 -0.113733D+02  0.370306D+02
                51            52            53            54            55 
      1  -0.304507D+01 -0.684345D+01 -0.297526D+01  0.212511D+01  0.197281D+01
      2  -0.197410D+01 -0.244007D+02 -0.343977D+01  0.457555D+01  0.716811D+01
      3  -0.211891D+01  0.148870D+01  0.165520D+01  0.112689D+02  0.364492D+02
                56            57            58            59            60 
      1  -0.171462D+01 -0.596570D+01 -0.352216D+01  0.197069D+01 -0.415727D+01
      2  -0.619091D+01  0.577006D+00 -0.499727D+01  0.495374D+01 -0.279358D+00
      3  -0.341221D+02  0.187231D+01 -0.928287D+01  0.282381D+02 -0.156202D+01
                61            62            63            64            65 
      1  -0.803646D+01 -0.588798D+01  0.429956D+01  0.358179D-01 -0.196950D+01
      2  -0.179774D+02 -0.465604D+00  0.186027D+01 -0.635492D+01  0.109830D+01
      3  -0.322027D+00  0.173779D+01  0.483708D+01 -0.186527D+02  0.505954D+01
                66            67            68            69            70 
      1   0.764869D+01  0.405864D+01 -0.199617D+01 -0.678470D+00  0.150537D+02
      2   0.362664D+01 -0.102133D+02 -0.158030D+01 -0.305429D+01 -0.139153D+01
      3  -0.217796D+01  0.118823D+02 -0.921102D+00 -0.191490D+01 -0.495389D+01
                71            72            73            74            75 
      1   0.597112D+01 -0.335770D+01 -0.867707D+01  0.208760D+01 -0.360512D+00
      2  -0.962009D+01  0.249974D+01  0.237211D+02 -0.157061D+01  0.322784D+00
      3  -0.561120D+00 -0.696904D+01 -0.591163D+02  0.163714D+02  0.203373D+00
                76            77            78            79            80 
      1   0.148233D+01  0.544197D+01  0.117177D+00  0.309984D+01  0.154745D+02
      2   0.262408D+00  0.134455D+01  0.210103D+01 -0.129327D+02  0.241479D+01
      3   0.428923D+02 -0.123903D+02  0.139436D+01  0.197066D-01 -0.216235D+01
                81            82            83            84            85 
      1  -0.287837D+01  0.233520D+01 -0.120051D+01  0.117527D+01 -0.203675D+01
      2   0.181223D+01 -0.243713D+02  0.649885D+00 -0.407005D+00  0.124245D+02
      3  -0.472320D+01  0.324304D+02 -0.458709D+02  0.512697D+01 -0.184737D+02
                86            87            88            89            90 
      1  -0.104154D+01 -0.124584D+01 -0.534633D+01  0.402875D+01 -0.470877D+00
      2  -0.797733D-01  0.269351D+01 -0.189776D+02  0.101414D+02 -0.566421D+00
      3   0.604318D+01 -0.793672D+00 -0.167288D+01  0.267721D+01 -0.199999D+01
                91            92            93            94            95 
      1   0.480694D+01  0.229351D+01  0.794881D+00  0.562799D+01 -0.172870D+01
      2  -0.880876D+01  0.878268D-01 -0.304498D+01 -0.686512D+01 -0.117191D+01
      3   0.197540D+02  0.222890D+01  0.142564D+01  0.360213D+02 -0.164021D+02
                96            97            98            99           100 
      1  -0.562366D+01  0.397195D+01  0.176882D+01  0.192858D+01  0.125300D+01
      2  -0.118939D+02 -0.455377D+02 -0.104351D+02 -0.455031D+01  0.574202D+01
      3  -0.160542D+01  0.120072D+02 -0.613446D+00  0.197079D+02 -0.261306D+01
               101           102           103           104           105 
      1  -0.551753D+01  0.329140D+01 -0.642801D-01 -0.124407D+01 -0.555861D+01
      2  -0.403436D+01  0.139780D+02 -0.144169D+01 -0.215303D+01 -0.836760D+01
      3  -0.441765D+02  0.224431D+01 -0.611818D+01 -0.592475D+01  0.195710D+01
               106           107           108           109           110 
      1   0.162466D+01 -0.198791D+01  0.189552D+00  0.123227D+01  0.210609D+01
      2  -0.848543D+01  0.301747D+01 -0.297833D+00  0.294904D+00  0.526976D+01
      3   0.862439D+00  0.471406D+01 -0.381545D+01  0.383691D+02  0.609990D+01
               111           112           113           114           115 
      1  -0.114431D+01  0.149438D+01 -0.968882D+00  0.709193D+01 -0.143065D+02
      2  -0.183639D+01  0.631925D+01  0.541528D+01  0.417993D+02 -0.217655D+02
      3  -0.749638D+01  0.266271D+02 -0.308488D+02 -0.763715D+01 -0.655670D+01
               116           117           118           119           120 
      1   0.949921D+01 -0.253371D+01 -0.135478D+01  0.497935D+00  0.162554D+01
      2   0.326346D+02 -0.797291D+01 -0.221186D+01  0.640515D+00  0.144058D+01
      3  -0.526504D+01 -0.324602D+02 -0.488154D+01 -0.434223D+01  0.717114D+00
               121           122           123           124           125 
      1   0.418723D-01 -0.191638D+00 -0.285585D+01 -0.263430D+01  0.122876D+01
      2   0.196757D+00 -0.251749D+00 -0.270698D+01 -0.274836D+01  0.256365D+00
      3  -0.518555D+01  0.131149D+02 -0.214060D+00  0.169045D+01 -0.915600D+00
               126           127           128           129           130 
      1   0.376741D+00  0.146810D+00  0.194034D+00 -0.145127D+01  0.305306D+00
      2   0.656969D+00 -0.954999D+00 -0.109649D+01  0.192216D+01 -0.122684D+01
      3   0.103641D+01 -0.440657D+01 -0.413705D+01  0.802220D+00 -0.292187D+01
               131           132           133           134           135 
      1  -0.179871D+00 -0.377350D+01  0.152689D+00  0.167655D+01  0.387603D+00
      2  -0.285484D+01  0.354615D+01 -0.195255D+01 -0.188297D+00 -0.266198D+00
      3  -0.192283D+02  0.221503D+01  0.119039D+01  0.225185D+01  0.363310D+00
               136           137           138           139           140 
      1   0.316603D+00  0.149372D+00 -0.139666D+01 -0.544406D-01 -0.480910D+00
      2   0.861677D+00  0.984238D+00  0.293329D+00  0.505616D+00  0.190210D+01
      3   0.823822D+01  0.590725D+01 -0.135449D+01  0.594775D+01  0.195484D+02
               141           142           143           144           145 
      1  -0.422072D+01  0.407460D+00  0.308047D+01  0.115694D+00  0.105590D+01
      2  -0.311500D+00 -0.108314D+00  0.871430D-01 -0.223242D+00  0.463915D+00
      3  -0.231335D+01 -0.159473D+01 -0.285175D+01 -0.417355D+00  0.568967D+01
               146           147           148           149           150 
      1   0.114943D+01 -0.168743D+01  0.794565D+00  0.294881D+01 -0.521912D+01
      2   0.479502D-01  0.920446D+00  0.183934D+00 -0.149871D+00  0.121996D+01
      3   0.308995D+01 -0.900289D+00  0.535959D+01  0.422191D+01 -0.649226D+00
               151           152           153           154           155 
      1   0.124688D+01  0.232667D+01  0.223286D+00  0.146007D+00 -0.504595D+00
      2  -0.163871D+01  0.119092D+01 -0.670475D+00 -0.208170D+00 -0.207420D+00
      3  -0.306143D+00 -0.128470D+01 -0.667286D+00 -0.103230D+02  0.143010D+01
               156           157           158           159           160 
      1   0.243616D+01 -0.182390D+01  0.168071D+01 -0.338447D+01 -0.276589D+01
      2   0.185381D+01 -0.753329D+00  0.497573D+00 -0.265276D+01 -0.229388D+01
      3   0.514202D+00  0.330048D+01  0.619686D+00  0.284731D+00  0.143346D+01
               161           162           163           164           165 
      1   0.980534D+00  0.736197D+00 -0.703145D+00  0.542902D-01 -0.138147D+01
      2   0.713068D-01  0.417047D+00  0.326798D+00  0.501267D+00  0.276184D+00
      3   0.273855D+00  0.102916D+01  0.137310D+01  0.973714D+00 -0.104585D+00
               166           167           168           169           170 
      1  -0.706283D+00 -0.204400D+01 -0.328071D+01 -0.149355D+01  0.203275D+01
      2   0.947800D+00 -0.702952D-01  0.157334D+01 -0.121237D+01 -0.864945D+00
      3   0.466183D+01 -0.463388D+01  0.298970D+00 -0.157817D+01  0.174149D+00
               171           172           173           174           175 
      1   0.138589D-01  0.103454D+01 -0.768838D+00  0.931144D+00 -0.190742D+00
      2   0.771014D+00 -0.173004D+00 -0.371177D+00  0.389842D+01  0.295874D+00
      3   0.540368D+00  0.898766D+01 -0.718483D+01 -0.101220D+01 -0.286985D+01
               176           177           178           179           180 
      1   0.293741D+01 -0.237999D+01  0.832500D-01  0.157623D+01  0.339114D+00
      2   0.478640D+00 -0.368477D+01  0.251701D+01 -0.119430D+01 -0.776344D+00
      3   0.187803D+02  0.414460D+00 -0.187292D+01  0.122232D+01  0.899984D+00
               181           182           183           184           185 
      1   0.296283D+01 -0.593960D+01 -0.209961D+01 -0.350875D+01  0.732030D+01
      2  -0.147715D+02 -0.225142D+01  0.188717D+02 -0.536878D+01  0.576655D+01
      3  -0.155520D+01 -0.130827D+02  0.202959D+01 -0.134738D+02  0.149599D+02
               186           187           188           189           190 
      1  -0.518445D+01  0.143728D+01 -0.316325D+00 -0.100770D+02 -0.231034D+00
      2   0.185435D+02  0.157201D+02  0.117592D+02  0.103206D+02  0.124842D+02
      3   0.190740D+01  0.917735D+01  0.980252D-01 -0.143789D+02 -0.926254D+01
               191           192           193           194           195 
      1  -0.798200D+01 -0.381191D+01 -0.833243D+01  0.175969D+01 -0.574591D+00
      2   0.617499D+01  0.473833D+01  0.251422D+02  0.176823D+01  0.222905D+02
      3  -0.728203D+01 -0.721031D+01 -0.807286D+01 -0.165408D+00  0.195428D+01
               196           197           198           199           200 
      1   0.333809D+01 -0.147997D+01  0.891979D+00 -0.162393D+01 -0.877006D+00
      2  -0.957062D+01  0.104529D+02 -0.124163D+02 -0.436634D+01 -0.853107D+00
      3  -0.337931D+01  0.173686D+02 -0.138128D+02 -0.226888D+02 -0.110844D+02
               201           202           203           204           205 
      1   0.295001D+00 -0.832773D+00 -0.683494D+00 -0.703033D+00  0.176683D+01
      2   0.932962D+01 -0.188104D+01 -0.124702D+01  0.239696D+01  0.862387D+01
      3   0.245327D+01 -0.131864D+02 -0.919804D+01  0.212895D+01  0.273033D+01
               206           207           208           209           210 
      1   0.206326D+00 -0.608821D-01  0.707771D+00 -0.222350D-02 -0.131928D+01
      2  -0.104159D+01 -0.217599D+01 -0.565788D+01 -0.128572D+01 -0.298249D+01
      3   0.224453D+01  0.510627D+00  0.153952D+01  0.293293D+01  0.187580D+01
               211           212           213           214           215 
      1   0.831807D+00  0.102522D+00 -0.383023D+01  0.287577D+01  0.220658D+00
      2   0.622508D+01 -0.149644D+02 -0.189727D+02  0.123425D+02 -0.197876D+02
      3  -0.116321D+02  0.280485D+02  0.166884D+02 -0.775686D+01  0.191771D+02
               216           217           218           219           220 
      1  -0.470449D+01  0.274332D+00 -0.228956D+00 -0.960055D-01 -0.210301D+01
      2  -0.254608D+02  0.913645D+01 -0.285178D+01  0.116721D+01 -0.841724D+01
      3   0.207613D+02  0.197169D+01 -0.455833D+00  0.197334D+01 -0.109214D+02
               221           222           223           224           225 
      1   0.225571D+01 -0.428240D+01  0.534944D+01 -0.119645D+01  0.759188D+01
      2   0.109038D+02 -0.162863D+02  0.176159D+02 -0.187849D+02  0.325833D+02
      3   0.190649D+02 -0.110613D+02  0.100078D+02 -0.161408D+02  0.184508D+02
               226           227           228           229           230 
      1   0.131255D+01  0.274005D+01  0.124232D+01  0.169347D+01  0.375068D+01
      2  -0.594155D+01 -0.234207D+01 -0.102269D+02 -0.240646D+01 -0.654086D+01
      3   0.174029D+01  0.212916D+01  0.412523D-01  0.316770D+01  0.326402D+01
               231           232           233           234           235 
      1   0.317156D+01  0.725248D+00  0.612948D+01  0.699739D+01 -0.288713D+01
      2  -0.131343D+02 -0.563987D+01 -0.739048D+01 -0.292657D+02 -0.140478D+01
      3   0.428546D+01  0.469403D-01  0.373746D+01  0.415278D+01 -0.701697D+01
               236           237           238           239           240 
      1   0.303555D+01  0.118762D+01  0.142242D+01 -0.117303D+02 -0.150321D+01
      2   0.267554D+01 -0.283813D+01  0.258029D+01 -0.592157D+01  0.381651D+01
      3   0.594045D+01 -0.754154D+00  0.475954D+01 -0.214059D+02  0.370868D+01
               241           242           243           244           245 
      1   0.382505D+00  0.927625D+00 -0.138508D+01 -0.201290D+01 -0.287953D+01
      2  -0.157132D+01  0.127474D+01 -0.182265D+01  0.121067D+02  0.378710D+00
      3   0.673258D+00  0.660731D+00 -0.231650D+01 -0.299790D+01 -0.745365D+01
               246           247           248           249           250 
      1  -0.291992D+00 -0.238121D+01 -0.168321D+01  0.450235D-01 -0.589018D+00
      2   0.632911D+01  0.162125D+01 -0.140311D+00 -0.105354D+01  0.270814D+01
      3   0.196188D+01 -0.376533D+01 -0.349108D+01  0.156739D+01 -0.160657D+01
               251           252           253           254           255 
      1   0.923990D+00  0.810315D+00 -0.504202D+01  0.556374D+01  0.258390D+01
      2  -0.529889D+00 -0.178141D+01  0.934854D+01 -0.253520D+01  0.114523D+02
      3   0.138362D+01  0.706273D+00  0.681476D+01 -0.969170D+01  0.390641D+01
               256           257           258           259           260 
      1   0.538996D+01 -0.601252D+01 -0.142170D+01 -0.277301D+01  0.978193D+01
      2  -0.200905D+02  0.705703D+01 -0.159662D+02  0.258947D+02 -0.986481D+01
      3   0.236250D+01  0.184092D+02 -0.848231D+01 -0.984435D+01 -0.177134D+02
               261           262           263           264           265 
      1  -0.791972D+00  0.469364D+01  0.111521D+01  0.225859D+01 -0.321994D+01
      2   0.337029D+02 -0.732868D+01 -0.644386D+01 -0.455542D+01 -0.241255D+01
      3   0.855228D+01  0.575444D+00  0.278100D+01  0.459300D+01 -0.132122D+01
               266           267           268           269           270 
      1   0.338977D+01 -0.613767D+01  0.117292D+01  0.137364D+01  0.683780D+01
      2  -0.318451D+01 -0.680090D+01 -0.933832D+01 -0.702268D+01 -0.163449D+02
      3  -0.172872D+02  0.468217D+01  0.872344D+01  0.897062D+01  0.550322D+01
               271           272           273           274           275 
      1  -0.204271D+00  0.593996D+00 -0.144317D+01 -0.103327D+01 -0.602173D+00
      2   0.383346D+01  0.390449D+01  0.522597D+01  0.260732D+01  0.606161D+01
      3  -0.429925D+01 -0.522469D+01 -0.332835D+01 -0.329928D+01 -0.102700D+02
               276           277           278           279 
      1  -0.286545D+01 -0.166322D+01  0.899429D-01 -0.610116D+01
      2   0.664679D+01  0.973616D+01  0.131482D+02  0.213431D+02
      3  -0.554145D+01 -0.744727D+01 -0.137766D+02 -0.131429D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.120073D+03 -0.410929D+02 -0.298312D+01  0.121064D+02 -0.228443D+02
      2  -0.665579D+02  0.272102D+02  0.756288D-01 -0.132517D+02  0.268650D+02
      3  -0.535147D+02  0.138826D+02  0.290749D+01  0.114532D+01 -0.402065D+01
      4  -0.215859D+02  0.331062D+02 -0.138516D+01 -0.234206D+02 -0.621031D+02
      5   0.208580D+01 -0.697582D+00  0.670440D+01  0.860807D+01  0.412591D+01
      6  -0.503172D+00  0.153663D+01  0.493189D+01  0.532039D+01 -0.380243D+01
                 6             7             8             9            10 
      1   0.350813D+01 -0.116273D+01  0.769804D+01  0.283579D+02 -0.184098D+01
      2  -0.514836D+01  0.280348D+01 -0.667520D+01 -0.255050D+02 -0.696433D+00
      3   0.164023D+01 -0.164076D+01 -0.102284D+01 -0.285291D+01  0.253742D+01
      4   0.844975D+01  0.103737D+02  0.192652D+01 -0.423232D+01  0.301997D+02
      5  -0.961955D+00  0.573644D+02 -0.100952D+02 -0.478609D+01  0.525216D+01
      6  -0.603614D+01 -0.772639D+00  0.461689D+01  0.195077D+01 -0.573359D+01
                11            12            13            14            15 
      1   0.606423D+02 -0.404564D+01 -0.862923D+02  0.316536D+02  0.234052D+01
      2  -0.406744D+02  0.217562D+00  0.577298D+02 -0.264371D+02 -0.132082D+01
      3  -0.199679D+02  0.382808D+01  0.285625D+02 -0.521653D+01 -0.101970D+01
      4   0.422952D+02 -0.851143D+01  0.339699D+02  0.260400D+02 -0.854049D+01
      5  -0.956549D+01  0.184608D+02  0.422033D+01 -0.621501D+01 -0.124032D+02
      6   0.323212D+01 -0.130052D+02 -0.608819D+01  0.292593D+01  0.619896D+01
                16            17            18            19            20 
      1   0.136214D+02 -0.124954D+02  0.350610D+00 -0.112003D+03  0.230807D+02
      2  -0.118151D+02  0.967280D+01 -0.682457D+01  0.511956D+02 -0.127502D+02
      3  -0.180628D+01  0.282255D+01  0.647396D+01  0.608070D+02 -0.103305D+02
      4  -0.718640D+01 -0.957205D+01 -0.164726D+02  0.318424D+02 -0.353805D+02
      5   0.271146D+02 -0.184424D+02  0.261833D+01  0.830379D+01  0.569359D+01
      6  -0.167422D+02  0.113893D+02  0.306302D+01  0.515502D+01  0.137926D+01
                21            22            23            24            25 
      1   0.561074D+01  0.922835D+02 -0.163428D+02 -0.623252D+01  0.199601D+01
      2  -0.247320D+01 -0.593752D+02 -0.366426D+01  0.610153D+01  0.148809D+01
      3  -0.313754D+01 -0.329082D+02  0.200071D+02  0.130988D+00 -0.348410D+01
      4   0.508135D+01 -0.161204D+02  0.260802D+02  0.308233D+01  0.267543D+01
      5   0.399102D+01 -0.323233D+01  0.438173D+01  0.127866D+02  0.729115D+01
      6  -0.217951D-02  0.229513D+01  0.601958D+01  0.634328D+01  0.505047D+01
                26            27            28            29            30 
      1   0.212966D+01 -0.163197D+02  0.994773D+02 -0.167693D+02 -0.851731D+01
      2   0.337267D+01  0.398978D-01 -0.441652D+02  0.109767D+02  0.275496D+01
      3  -0.550233D+01  0.162798D+02 -0.553122D+02  0.579254D+01  0.576235D+01
      4   0.852579D+01  0.270849D+02 -0.338712D+02  0.318911D+01  0.147787D+01
      5   0.279674D+02 -0.461646D+01 -0.732131D+01 -0.561088D+00 -0.957734D+01
      6   0.155844D+02 -0.197763D+01 -0.308901D+01  0.140476D+01  0.102897D+01
                31            32            33            34            35 
      1   0.874127D+02 -0.294666D+02 -0.566599D+01 -0.198055D+02  0.391600D+01
      2  -0.392109D+02  0.266442D+02  0.858740D+00  0.898632D+01 -0.334766D+01
      3  -0.482018D+02  0.282243D+01  0.480725D+01  0.108192D+02 -0.568341D+00
      4  -0.160734D+02  0.143054D+02 -0.875660D+00  0.469060D+01 -0.190219D+00
      5   0.342220D+01 -0.336602D+01 -0.268447D-01 -0.596584D+00  0.320948D+01
      6  -0.340578D+01  0.209626D+00 -0.285005D+01  0.458018D+01  0.478003D+01
                36            37            38            39            40 
      1  -0.771666D+01 -0.903760D+02  0.478090D+02  0.884168D+00 -0.878920D+02
      2  -0.137809D+01  0.452590D+02 -0.283719D+02 -0.172076D+01  0.478882D+02
      3   0.909475D+01  0.451171D+02 -0.194371D+02  0.836591D+00  0.400039D+02
      4   0.308774D+01  0.577005D+02 -0.611724D+01 -0.238704D+01 -0.615521D+01
      5   0.284966D+01  0.257532D+01 -0.710135D+00  0.125574D+01 -0.116679D+01
      6   0.986703D+00 -0.197436D+00 -0.102013D+01  0.167662D+01  0.379523D+01
                41            42            43            44            45 
      1   0.161948D+01  0.659638D+01  0.133263D+02 -0.639360D+01 -0.120503D+02
      2   0.181930D+01 -0.481791D+01 -0.625099D+01  0.358919D+01 -0.332304D+00
      3  -0.343879D+01 -0.177848D+01 -0.707526D+01  0.280441D+01  0.123826D+02
      4  -0.320606D+01  0.119620D+01 -0.530349D+01  0.987781D+00  0.103407D+01
      5   0.240833D+01  0.931414D-01 -0.145552D+01 -0.121486D+01  0.114381D+01
      6  -0.274262D+01 -0.400703D+00  0.222542D+01  0.343009D+01 -0.225236D+00
                46            47            48            49            50 
      1   0.778275D+01 -0.548982D+02  0.160670D+01  0.203322D+01  0.227761D+02
      2  -0.551809D+01  0.342476D+02  0.681018D+00 -0.774374D+01 -0.224895D+02
      3  -0.226466D+01  0.206506D+02 -0.228772D+01  0.571053D+01 -0.286671D+00
      4  -0.393494D+02 -0.336210D+02  0.523403D+01  0.351235D+02 -0.188943D+02
      5  -0.438991D+01  0.581636D+01 -0.147844D+02 -0.142814D+01  0.213670D+00
      6   0.485223D+01  0.211201D+01  0.105400D+02  0.783168D+00  0.614493D+01
                51            52            53            54            55 
      1  -0.513495D+01 -0.349090D+01 -0.315927D+00 -0.228809D+02  0.132056D+02
      2   0.571408D+01  0.303150D+01  0.555853D+01  0.733865D+01 -0.122133D+02
      3  -0.579134D+00  0.459400D+00 -0.524260D+01  0.155423D+02 -0.992338D+00
      4  -0.110840D+01 -0.128497D+01  0.490844D+01 -0.126496D+02  0.148004D+02
      5  -0.183227D+01  0.101455D+00 -0.142927D+02  0.801641D+01  0.769272D+01
      6   0.710459D+01 -0.654240D+00  0.209940D+02 -0.487828D+01  0.429610D+00
                56            57            58            59            60 
      1  -0.525803D+02 -0.891445D+00  0.253304D+02 -0.601203D+01 -0.440091D+01
      2   0.448461D+02  0.863329D+00 -0.224078D+02 -0.716310D+01  0.559003D+01
      3   0.773419D+01  0.281159D-01 -0.292261D+01  0.131751D+02 -0.118912D+01
      4  -0.625798D+01 -0.955673D-01 -0.343918D+01 -0.129489D+02  0.308980D+01
      5   0.290990D+01 -0.149676D+01 -0.251649D+01  0.290174D+01  0.184360D+01
      6   0.776099D+01  0.122780D+02  0.153730D+01  0.857980D+01  0.978463D+01
                61            62            63            64            65 
      1  -0.669404D+01  0.132358D+01 -0.263973D+02 -0.911189D+01  0.778909D+02
      2   0.588707D+01  0.291812D+01  0.154658D+02  0.444978D+01 -0.652931D+02
      3   0.806966D+00 -0.424171D+01  0.109315D+02  0.466211D+01 -0.125978D+02
      4   0.382754D+00  0.532048D+01  0.595976D+01  0.619117D+00 -0.189007D+02
      5   0.507055D+01  0.285957D+00  0.245864D+01 -0.465356D+00 -0.470484D+01
      6   0.375977D+01  0.277251D+02 -0.428758D+01 -0.266359D+01 -0.158288D+01
                66            67            68            69            70 
      1  -0.476949D+01 -0.250407D+02  0.339766D+02 -0.677925D+01  0.120130D+02
      2   0.320654D+01  0.315864D+02 -0.370269D+02  0.272736D+01 -0.984766D+01
      3   0.156295D+01 -0.654568D+01  0.305023D+01  0.405190D+01 -0.216537D+01
      4   0.106263D+01  0.579720D+01  0.994761D+01 -0.276797D+01 -0.126444D+01
      5   0.860294D+01  0.212611D+01 -0.607766D+01 -0.819611D+01  0.294026D+02
      6  -0.146546D+02 -0.704472D+01  0.968561D+00  0.391254D+01 -0.198956D+02
                71            72            73            74            75 
      1  -0.179367D+02 -0.137236D+02 -0.141905D+00  0.989848D+01  0.236213D+01
      2   0.145411D+02  0.357641D+01 -0.183314D+02 -0.119476D+02  0.278874D+01
      3   0.339554D+01  0.101472D+02  0.184733D+02  0.204911D+01 -0.515087D+01
      4   0.217560D+00 -0.106297D+02  0.324459D+02  0.968515D+01 -0.251136D+01
      5  -0.786623D+01 -0.676657D+00 -0.518364D+01 -0.191076D+01  0.448579D+01
      6   0.169724D+02  0.704512D+01  0.282461D+01 -0.352843D+01 -0.264871D+01
                76            77            78            79            80 
      1   0.333250D+02 -0.722590D+02  0.391247D+01  0.109377D+02  0.443479D+01
      2  -0.233908D+02  0.696108D+02 -0.541073D+01 -0.132026D+01 -0.606413D+01
      3  -0.993421D+01  0.264825D+01  0.149827D+01 -0.961747D+01  0.162934D+01
      4  -0.406246D+02  0.308812D+01  0.163066D+01  0.382485D+01 -0.244208D+01
      5   0.401246D+01  0.441717D+01  0.313299D+01  0.309711D+02 -0.193573D+01
      6   0.361070D+01  0.322723D+01 -0.250034D+01 -0.778808D+01  0.482718D+01
                81            82            83            84            85 
      1  -0.256252D+01  0.590634D+02 -0.576691D+02 -0.124377D+01  0.726803D+01
      2  -0.838188D+01 -0.292524D+02  0.420104D+02 -0.159923D+01 -0.198683D+02
      3   0.109444D+02 -0.298110D+02  0.156587D+02  0.284300D+01  0.126002D+02
      4   0.446117D+01 -0.562994D+02  0.484091D+01  0.401400D+01  0.306610D+02
      5  -0.433172D+01  0.123739D+01  0.387230D+01 -0.456889D+01 -0.162460D+01
      6   0.352179D+01  0.164967D+01  0.330740D+01  0.384768D+00  0.161822D+01
                86            87            88            89            90 
      1   0.359265D+02 -0.397553D+00 -0.326122D+01  0.634308D+01 -0.855411D+01
      2  -0.384444D+02  0.509466D+01 -0.680982D-02  0.807233D+00 -0.608458D+01
      3   0.251788D+01 -0.469711D+01  0.326803D+01 -0.715031D+01  0.146387D+02
      4  -0.600443D+01 -0.611227D+00  0.796730D+01  0.150625D+01  0.378030D+01
      5  -0.263198D+00  0.770479D+01  0.381591D+01  0.972493D+01 -0.668640D+00
      6   0.655853D+00  0.391482D+01  0.294903D+01  0.592347D+01 -0.291432D+01
                91            92            93            94            95 
      1   0.162189D+02  0.890475D+01 -0.659066D+01 -0.440080D+01 -0.144737D+02
      2  -0.815596D+01 -0.287303D+01 -0.552863D+01  0.164146D+02  0.303519D+01
      3  -0.806293D+01 -0.603172D+01  0.121193D+02 -0.120138D+02  0.114385D+02
      4  -0.120747D+02 -0.190600D+02 -0.423132D+01 -0.372903D+02  0.312573D+02
      5   0.219167D+01 -0.412036D+01 -0.147930D+02  0.594368D+01  0.463855D+01
      6  -0.577698D+01  0.286201D+01 -0.505040D+01  0.486916D+01 -0.581333D+01
                96            97            98            99           100 
      1  -0.604954D+01 -0.153208D+02 -0.369781D+01 -0.133212D+02  0.195535D+02
      2  -0.742606D+01  0.365687D+01 -0.378593D-02  0.101181D+02 -0.145217D+02
      3   0.134756D+02  0.116640D+02  0.370160D+01  0.320313D+01 -0.503179D+01
      4   0.355122D+01 -0.633579D+01 -0.650343D+00 -0.308061D+02  0.326831D+02
      5  -0.290054D+02 -0.672294D+02 -0.238068D+02  0.854201D+01 -0.334118D+01
      6  -0.495368D+01 -0.144095D+02 -0.730776D+01  0.269615D+01  0.217864D+00
               101           102           103           104           105 
      1   0.371019D+02 -0.169569D+00 -0.287956D+01  0.158635D+02 -0.429280D+01
      2  -0.225789D+02  0.243518D+01  0.502524D+01 -0.715072D+01  0.301945D+01
      3  -0.145229D+02 -0.226561D+01 -0.214568D+01 -0.871276D+01  0.127334D+01
      4   0.288677D+01  0.148552D+00  0.439400D+02  0.102820D+02 -0.461874D+01
      5   0.174232D+00  0.273505D+02 -0.622953D+01 -0.274598D+01 -0.151433D+02
      6  -0.215798D+01 -0.585718D+01 -0.198173D+01  0.451354D+00  0.100927D+02
               106           107           108           109           110 
      1  -0.353484D+00 -0.438853D+01 -0.320004D-01 -0.662516D+02 -0.505230D+02
      2   0.178715D+01  0.356338D+01  0.109995D+01  0.410631D+02  0.261496D+02
      3  -0.143366D+01  0.825152D+00 -0.106795D+01  0.251885D+02  0.243734D+02
      4  -0.604349D+01  0.290825D+00  0.744135D+01 -0.507262D+02  0.124173D+02
      5   0.594623D+01  0.588921D+01 -0.322411D+01  0.963840D+01  0.967243D+01
      6   0.342094D+01  0.359192D+01 -0.171194D+01  0.287841D+01 -0.193120D+01
               111           112           113           114           115 
      1   0.102163D+02 -0.410954D+02  0.325411D+00  0.188677D+02  0.480720D+01
      2  -0.645513D+01  0.179521D+02 -0.489781D+00 -0.874151D+01 -0.194240D+01
      3  -0.376115D+01  0.231433D+02  0.164371D+00 -0.101262D+02 -0.286480D+01
      4   0.880382D+01 -0.295296D+02  0.278526D+02  0.114385D+02  0.121822D+02
      5  -0.935381D+01  0.139359D+02  0.109043D+02  0.812769D+02 -0.361778D+02
      6   0.148439D+01  0.179385D+01 -0.575122D+01 -0.225214D+02  0.153587D+02
               116           117           118           119           120 
      1   0.156802D+02 -0.498131D+01  0.366138D+02 -0.138206D+02 -0.174780D+01
      2  -0.815947D+01 -0.356668D+00 -0.122105D+02 -0.134884D-01  0.961511D+00
      3  -0.752072D+01  0.533798D+01 -0.244034D+02  0.138340D+02  0.786290D+00
      4   0.572986D+01  0.547261D+02 -0.321494D+02  0.263731D+02  0.240638D+00
      5   0.581529D+02 -0.164962D+02 -0.240457D+00 -0.941411D+00  0.271881D+01
      6  -0.179007D+02 -0.217741D+00  0.404076D+00  0.119552D+00 -0.139044D+01
               121           122           123           124           125 
      1  -0.166662D+02  0.600070D+01  0.601327D-01 -0.257466D+01  0.571603D+00
      2  -0.445272D+01  0.152341D+02 -0.273320D-01  0.230419D+01 -0.124739D+01
      3   0.211189D+02 -0.212348D+02 -0.328007D-01  0.270466D+00  0.675784D+00
      4   0.396522D+02 -0.446068D+02  0.819000D+00 -0.938102D+00  0.180042D+01
      5  -0.270260D+01  0.305449D+01 -0.428785D+01 -0.212855D+01 -0.589181D+00
      6   0.145335D+01 -0.141545D+01  0.412102D+01  0.148629D+01  0.107393D+01
               126           127           128           129           130 
      1  -0.154582D+01  0.373354D+01  0.802387D+01 -0.658067D+00  0.517874D+01
      2   0.148112D+01  0.385188D+01  0.171970D+01 -0.637201D-02  0.868270D+01
      3   0.647016D-01 -0.758542D+01 -0.974357D+01  0.664439D+00 -0.138614D+02
      4  -0.128574D+01  0.242957D+02  0.242347D+02 -0.391587D+01  0.324852D+02
      5   0.540207D+00 -0.232250D+01 -0.281165D+01  0.389172D+01 -0.331976D+01
      6  -0.574308D+00 -0.179987D+01 -0.206462D+01  0.228635D+01 -0.287263D+01
               131           132           133           134           135 
      1  -0.113493D+02  0.132275D+01 -0.632398D+00  0.135796D+00 -0.114981D+01
      2   0.293298D+02 -0.239967D+01 -0.703821D+00 -0.236280D+01  0.262480D+01
      3  -0.179805D+02  0.107691D+01  0.133622D+01  0.222701D+01 -0.147500D+01
      4   0.557489D+02 -0.713005D+01 -0.518700D+01 -0.776205D+01  0.213657D+01
      5  -0.453025D+01  0.608670D+01  0.243685D+01  0.514973D+00 -0.119607D+01
      6  -0.577768D+01  0.660488D+01  0.258893D+01  0.308914D+01 -0.173230D+01
               136           137           138           139           140 
      1  -0.616732D+01 -0.159008D+02  0.256014D+01 -0.671420D+01 -0.489070D+02
      2   0.691023D+01  0.154306D+02 -0.189467D+01  0.658367D+01  0.587506D+02
      3  -0.742908D+00  0.470185D+00 -0.665478D+00  0.130530D+00 -0.984362D+01
      4  -0.894557D+00  0.525842D+01 -0.552311D-01  0.224420D+01 -0.136377D+02
      5   0.535195D+00  0.416899D+00  0.121943D+01  0.184949D+00  0.398165D+01
      6  -0.137178D+01 -0.305323D+01  0.188781D+01 -0.934906D+00 -0.963117D+01
               141           142           143           144           145 
      1   0.589850D+01  0.137930D+01  0.687681D+01 -0.168703D+01 -0.644758D+01
      2  -0.537193D+01 -0.106282D+01 -0.718469D+01  0.199761D+01  0.989090D+01
      3  -0.526567D+00 -0.316482D+00  0.307883D+00 -0.310577D+00 -0.344332D+01
      4   0.188654D+01  0.305833D+00  0.114642D+01  0.177772D+01  0.783011D+01
      5  -0.186303D+01  0.164494D+01  0.666962D+00 -0.512576D+00  0.114186D+00
      6   0.727754D+01  0.491061D+00  0.290670D+01 -0.156281D+01 -0.100161D+01
               146           147           148           149           150 
      1  -0.110206D+02  0.205899D+01 -0.812410D+01 -0.549908D+02  0.589377D+01
      2   0.170790D+02 -0.216694D+01  0.112260D+02  0.777816D+02 -0.690832D+01
      3  -0.605835D+01  0.107949D+00 -0.310187D+01 -0.227908D+02  0.101455D+01
      4   0.168377D+02 -0.166872D+01  0.937513D+01  0.221252D+02 -0.192471D+01
      5  -0.104168D+00  0.228268D+01 -0.352872D+00  0.112341D+01  0.108507D+01
      6  -0.228700D+01  0.238839D+01 -0.912278D+00 -0.630933D+01  0.817069D+01
               151           152           153           154           155 
      1   0.842208D+00  0.746417D+01 -0.159872D+01  0.238991D+01  0.511893D+01
      2  -0.146591D+01 -0.958164D+01  0.227643D+01  0.105833D+02 -0.160783D+02
      3   0.623704D+00  0.211747D+01 -0.677715D+00 -0.129732D+02  0.109593D+02
      4  -0.116098D+01 -0.385419D+01  0.171910D+01 -0.294454D+02  0.257921D+02
      5  -0.820938D+00  0.201318D+01 -0.982220D+00 -0.169070D+01  0.449448D+00
      6  -0.425475D+00  0.295946D+01 -0.163441D+01  0.257077D+01 -0.215450D+01
               156           157           158           159           160 
      1   0.178579D-02  0.108727D+02 -0.204714D+02 -0.270143D-01 -0.225875D+01
      2   0.858847D-01 -0.239944D+02  0.378591D+02  0.552513D-01  0.232688D+01
      3  -0.876705D-01  0.131217D+02 -0.173876D+02 -0.282370D-01 -0.681318D-01
      4   0.660678D+00  0.291652D+02 -0.358070D+02  0.213464D+00 -0.398249D+00
      5   0.342642D+01 -0.706233D+00  0.320018D+00 -0.348854D+01 -0.380163D+00
      6  -0.301665D+01 -0.974682D+00  0.219667D+01  0.526169D+01  0.199747D+01
               161           162           163           164           165 
      1   0.175057D+01 -0.120056D+00  0.361799D+01  0.178460D+00 -0.156860D+00
      2  -0.226911D+01  0.136155D+01 -0.132545D+01  0.561714D+00  0.519023D+00
      3   0.518541D+00 -0.124150D+01 -0.229254D+01 -0.740174D+00 -0.362163D+00
      4   0.124147D+01 -0.158898D+01  0.636036D+01  0.809124D+01 -0.113722D+01
      5  -0.168646D+01  0.699514D+00 -0.183976D+01 -0.164962D+01  0.251018D+01
      6   0.216053D+01 -0.952350D+00 -0.155604D+01 -0.128863D+01  0.994245D+00
               166           167           168           169           170 
      1  -0.414489D+01 -0.170847D+02  0.282617D+01  0.171168D+01  0.120493D+01
      2   0.596494D+01  0.199678D+02 -0.152677D+01 -0.106287D+01 -0.120107D+01
      3  -0.182005D+01 -0.288314D+01 -0.129940D+01 -0.648812D+00 -0.386478D-02
      4   0.116925D+02  0.168637D+02 -0.208239D+01 -0.950897D+00 -0.141023D+01
      5  -0.187044D+01 -0.170251D+01  0.330534D+01  0.342260D+01  0.495193D+00
      6  -0.300636D+01 -0.624109D+01  0.524169D+01  0.236105D+01  0.275636D+01
               171           172           173           174           175 
      1  -0.176180D+01  0.147571D+02 -0.135158D+02 -0.837654D+00 -0.187934D+02
      2   0.215156D+01 -0.198080D+01  0.388845D+01  0.890744D+00  0.511869D+01
      3  -0.389766D+00 -0.127763D+02  0.962733D+01 -0.530905D-01  0.136747D+02
      4   0.197495D+01 -0.233461D+02  0.205405D+02  0.279692D+01  0.266423D+02
      5   0.226312D+00 -0.380380D+01  0.364753D+01  0.840971D+01  0.648909D+01
      6  -0.919627D+00  0.394515D+01 -0.274956D+01 -0.294848D+00 -0.418562D+01
               176           177           178           179           180 
      1   0.632600D+01  0.441307D+00 -0.264137D+00  0.118039D+01  0.269113D+01
      2   0.945251D+01  0.238335D+00  0.127491D+01 -0.131965D+01 -0.133224D+01
      3  -0.157785D+02 -0.679642D+00 -0.101077D+01  0.139257D+00 -0.135888D+01
      4  -0.424642D+02 -0.381367D+01  0.405052D+01 -0.275677D+01 -0.471680D+01
      5  -0.484553D+01 -0.801331D+01  0.109628D+02 -0.425049D+01 -0.348344D+01
      6   0.858010D+01  0.404849D+01 -0.224269D+01  0.625597D+01  0.204411D+01
               181           182           183           184           185 
      1  -0.931412D+02 -0.161120D+02  0.340205D+02 -0.102639D+02  0.231026D+02
      2   0.505287D+02  0.148542D+02 -0.548356D+01  0.323901D+01 -0.165418D+02
      3   0.426126D+02  0.125785D+01 -0.285370D+02  0.702493D+01 -0.656088D+01
      4  -0.186437D+02  0.138699D+02  0.613087D+01  0.204157D+02 -0.170525D+02
      5   0.452642D+02  0.816329D+01  0.136181D+02 -0.475167D+01 -0.539750D+01
      6   0.450281D+01 -0.848361D+01 -0.234726D+00 -0.100092D+02  0.104218D+02
               186           187           188           189           190 
      1   0.181390D+02  0.100623D+02  0.127798D+02  0.250830D+02 -0.226128D+02
      2   0.102266D+02  0.972939D+01  0.515571D+01 -0.179742D+01  0.252032D+02
      3  -0.283656D+02 -0.197917D+02 -0.179355D+02 -0.232855D+02 -0.259042D+01
      4   0.554929D+00 -0.843502D+01  0.144956D+00  0.290071D+02  0.170606D+02
      5   0.354533D+02  0.347988D+02  0.220785D+02 -0.696028D+01 -0.365950D+02
      6   0.307881D+01  0.828824D+01  0.267433D+01 -0.190472D+02  0.564404D+01
               191           192           193           194           195 
      1   0.647029D+01 -0.135479D+02  0.290328D+02  0.417068D+01  0.161799D+02
      2  -0.406995D+01  0.187765D+02 -0.328853D+02 -0.992122D+01 -0.191410D+02
      3  -0.240034D+01 -0.522861D+01  0.385254D+01  0.575054D+01  0.296114D+01
      4  -0.422430D-01  0.961725D+01  0.865728D+01 -0.516717D+01  0.356363D+01
      5   0.100643D+02 -0.154777D+02  0.313795D+02  0.100032D+01  0.491929D+02
      6  -0.496356D+01  0.657685D+01  0.435050D+01  0.241870D+01  0.215803D+01
               196           197           198           199           200 
      1  -0.393003D+02  0.118860D+02 -0.734593D+01  0.200301D+03  0.240707D+02
      2   0.316956D+02 -0.109724D+02  0.189165D+02 -0.106787D+03 -0.135815D+02
      3   0.760467D+01 -0.913601D+00 -0.115706D+02 -0.935138D+02 -0.104892D+02
      4   0.218008D+02 -0.191452D+02  0.304410D+02  0.241619D+02  0.159395D+02
      5  -0.164162D+02  0.279986D+02 -0.185144D+02 -0.215673D+02 -0.273712D+01
      6   0.124710D+02 -0.427362D+01  0.136052D+02 -0.315179D+00 -0.653355D+00
               201           202           203           204           205 
      1  -0.170111D+02  0.675256D+02  0.213196D+02 -0.622561D+01 -0.211222D+02
      2   0.102403D+02 -0.363913D+02 -0.108500D+02  0.387451D+01  0.129618D+02
      3   0.677084D+01 -0.311343D+02 -0.104696D+02  0.235109D+01  0.816039D+01
      4  -0.239911D+01  0.266261D+02  0.168666D+02 -0.379541D+01 -0.291865D+01
      5   0.186405D+02 -0.743637D+01 -0.391678D+01  0.501902D+01  0.265450D+02
      6  -0.413220D+00 -0.123388D+01 -0.612306D+00  0.185309D+01 -0.169972D+00
               206           207           208           209           210 
      1  -0.330176D+01  0.178219D+02  0.897079D+00 -0.408944D+01 -0.121925D+02
      2   0.215151D+01 -0.106840D+02 -0.713252D+00  0.206946D+01  0.518359D+01
      3   0.115024D+01 -0.713790D+01 -0.183827D+00  0.201998D+01  0.700894D+01
      4  -0.333429D+01 -0.116832D+01 -0.774204D+00 -0.154995D+01  0.126098D+01
      5  -0.133649D+01 -0.591036D+01 -0.952448D+01  0.435838D+00 -0.312591D+01
      6   0.285787D+01 -0.794135D-01  0.225830D+01  0.108114D+01  0.228123D+01
               211           212           213           214           215 
      1  -0.175518D+02  0.245193D+01  0.646097D+00 -0.319722D+02  0.155369D+01
      2   0.751079D+01  0.503156D+01  0.122689D+01  0.181449D+02 -0.419454D+00
      3   0.100410D+02 -0.748349D+01 -0.187299D+01  0.138273D+02 -0.113424D+01
      4   0.305010D+02 -0.431276D+02 -0.301778D+02  0.220171D+02 -0.303520D+02
      5   0.193381D+02 -0.305425D+02 -0.376340D+02  0.361582D+02 -0.371904D+02
      6  -0.895618D+01  0.145131D+02  0.149229D+02 -0.119927D+02  0.154145D+02
               216           217           218           219           220 
      1   0.271574D+01  0.162014D+02 -0.460979D+01  0.133473D+02 -0.177588D+02
      2  -0.780973D+01 -0.828609D+01  0.178547D+01 -0.605466D+01  0.704874D+01
      3   0.509399D+01 -0.791528D+01  0.282431D+01 -0.729267D+01  0.107101D+02
      4  -0.349951D+02 -0.500106D+01  0.264639D+01 -0.739872D+01  0.282635D+02
      5  -0.489659D+02  0.160680D+02 -0.690107D+01  0.446925D+01 -0.205635D+02
      6   0.164238D+02 -0.373036D+01  0.138503D+01  0.253955D+00  0.584663D+01
               221           222           223           224           225 
      1   0.919373D+01 -0.938245D+01  0.500219D+02 -0.132569D+02  0.148296D+02
      2  -0.119228D-02  0.187307D+01 -0.277519D+02  0.512012D+01 -0.123987D+02
      3  -0.919254D+01  0.750938D+01 -0.222700D+02  0.813674D+01 -0.243090D+01
      4  -0.295825D+02  0.208421D+02 -0.286170D+02  0.261672D+02 -0.320802D+02
      5   0.220322D+02 -0.322602D+02  0.465215D+02 -0.352458D+02  0.639988D+02
      6  -0.714216D+01  0.107127D+02 -0.117872D+02  0.115800D+02 -0.137150D+02
               226           227           228           229           230 
      1  -0.382673D+00 -0.366525D+01 -0.198044D+02 -0.598781D+01 -0.109059D+02
      2  -0.355777D+01 -0.680659D+00 -0.118093D+01  0.449788D+01  0.642832D+00
      3   0.394044D+01  0.434591D+01  0.209853D+02  0.148993D+01  0.102630D+02
      4  -0.204623D+01 -0.374824D+01 -0.293636D+01 -0.161730D+01 -0.742599D+01
      5  -0.552198D+01 -0.636074D+00 -0.790006D+01  0.595987D+01 -0.809937D+01
      6   0.151995D+01  0.344165D+01  0.164540D+01  0.477580D+00  0.651216D+01
               231           232           233           234           235 
      1  -0.142574D+02 -0.112067D+02 -0.897147D+01 -0.370549D+02  0.121311D+01
      2  -0.753183D+01  0.512938D+01 -0.405464D+01 -0.195859D+02  0.165853D+01
      3   0.217892D+02  0.607732D+01  0.130261D+02  0.566408D+02 -0.287164D+01
      4  -0.110199D+02 -0.139917D+01 -0.871619D+01 -0.129270D+02  0.419377D+01
      5  -0.239222D+02  0.743004D+01 -0.950747D+01 -0.461712D+02  0.163961D+00
      6   0.998517D+01  0.692558D+00  0.837532D+01  0.799408D+01 -0.249595D+01
               236           237           238           239           240 
      1   0.103673D+02 -0.616553D+01  0.126950D+02 -0.209062D+02  0.405415D+01
      2  -0.786560D+01 -0.881110D-01 -0.777125D+01  0.225151D+02 -0.493695D+00
      3  -0.250169D+01  0.625364D+01 -0.492374D+01 -0.160890D+01 -0.356045D+01
      4  -0.604396D+01  0.130364D+01  0.362952D+01  0.335135D+02 -0.740733D+01
      5  -0.126242D+01 -0.477802D+01 -0.864886D+01 -0.311958D+01  0.888210D+01
      6   0.589147D+01 -0.260532D+01  0.317795D+00 -0.220612D+02  0.848128D+01
               241           242           243           244           245 
      1   0.459929D+00  0.208153D+01 -0.773589D+01  0.124418D+03  0.114896D+02
      2  -0.164226D+01 -0.702120D+00  0.252116D+01 -0.733585D+02 -0.591678D+01
      3   0.118234D+01 -0.137941D+01  0.521473D+01 -0.510593D+02 -0.557285D+01
      4   0.134022D+01 -0.123674D+01  0.150566D+01  0.281093D+02  0.150651D+02
      5  -0.217977D+01  0.151825D+01  0.593362D+00 -0.725631D+02 -0.865551D+01
      6  -0.897892D+00  0.509008D+01 -0.118550D+01 -0.709411D+01 -0.523937D+01
               246           247           248           249           250 
      1  -0.251718D+02  0.806543D+01  0.814952D+01 -0.260686D+01 -0.718036D+01
      2   0.212572D+02 -0.362227D+01 -0.323843D+01  0.150806D+00  0.920734D+01
      3   0.391459D+01 -0.444316D+01 -0.491109D+01  0.245606D+01 -0.202698D+01
      4  -0.750935D+01  0.174361D+02  0.709270D+01 -0.499173D+01 -0.143248D+01
      5   0.326825D+02 -0.482246D+01 -0.665007D+01 -0.233777D-02  0.215473D+02
      6   0.404936D+01 -0.552876D+01 -0.296729D+01  0.323402D+01  0.277422D+01
               251           252           253           254           255 
      1  -0.146736D+01  0.876952D+01  0.776715D+02 -0.227371D+02  0.332589D+02
      2   0.153845D+00 -0.100034D+02 -0.515544D+02  0.128064D+02 -0.254077D+02
      3   0.131351D+01  0.123390D+01 -0.261171D+02  0.993071D+01 -0.785125D+01
      4  -0.190320D+01  0.584165D+00 -0.258697D+02  0.206561D+02 -0.828638D+01
      5   0.117782D+01 -0.127406D+02  0.594591D+02 -0.125829D+02  0.391879D+02
      6   0.180034D+01 -0.385947D+00 -0.794837D+01  0.702148D+01 -0.448360D+01
               256           257           258           259           260 
      1  -0.433430D+02  0.117624D+02 -0.909701D+01  0.505853D+02 -0.563177D+01
      2   0.324208D+02 -0.687671D+01  0.153992D+02 -0.463068D+02  0.104299D+02
      3   0.109222D+02 -0.488567D+01 -0.630216D+01 -0.427856D+01 -0.479810D+01
      4   0.226998D+02 -0.350698D+02  0.210690D+02 -0.130347D+02  0.272559D+02
      5  -0.348146D+02  0.215346D+02 -0.360130D+02  0.716854D+02 -0.258213D+02
      6   0.960003D+01 -0.141539D+02  0.129784D+02 -0.550692D+01  0.154000D+02
               261           262           263           264           265 
      1   0.141825D+02 -0.217048D+01  0.120203D+02  0.140937D+01  0.144365D+02
      2  -0.412657D+02  0.500148D+01 -0.542800D+01 -0.454628D+00 -0.390453D+01
      3   0.270832D+02 -0.283100D+01 -0.659234D+01 -0.954738D+00 -0.105320D+02
      4  -0.247394D+02 -0.145804D+00 -0.198636D+01 -0.123077D+02  0.117138D+02
      5   0.731158D+02 -0.884350D+01 -0.819259D+01 -0.102411D+02 -0.940860D+01
      6  -0.135222D+02 -0.299321D+01 -0.625678D+01 -0.881296D+01 -0.638228D+01
               266           267           268           269           270 
      1  -0.106920D+02 -0.529954D+01 -0.620221D+01 -0.595418D+01 -0.705572D+01
      2   0.291049D+02  0.474470D+01  0.267827D+01  0.188223D+01  0.631400D+01
      3  -0.184129D+02  0.554841D+00  0.352394D+01  0.407196D+01  0.741722D+00
      4   0.300468D+02 -0.136739D+02 -0.255111D+02 -0.253692D+02 -0.211100D+02
      5  -0.132217D+02 -0.155403D+02 -0.213754D+02 -0.191241D+02 -0.385100D+02
      6   0.277966D+01 -0.241959D+01 -0.147964D+02 -0.818032D+01 -0.187048D+02
               271           272           273           274           275 
      1   0.966424D+01  0.768691D+01  0.807371D+01  0.350786D+01 -0.282940D+01
      2  -0.451203D+01 -0.338742D+01 -0.487629D+01  0.113099D+01  0.648419D+01
      3  -0.515221D+01 -0.429949D+01 -0.319742D+01 -0.463885D+01 -0.365479D+01
      4   0.187327D+02  0.163578D+02  0.140390D+02  0.157340D+02  0.248003D+02
      5   0.163117D+02  0.125643D+02  0.170230D+02  0.997558D+01  0.136557D+02
      6   0.941773D+01  0.687933D+01  0.778189D+01  0.752779D+01  0.129518D+02
               276           277           278           279 
      1  -0.159472D+01  0.658532D+01 -0.195649D+01 -0.242939D+01
      2   0.288497D+01 -0.636669D+01 -0.108250D+00 -0.676638D+01
      3  -0.129026D+01 -0.218624D+00  0.206474D+01  0.919577D+01
      4   0.148319D+02  0.257905D+02  0.315249D+02  0.326802D+02
      5   0.147314D+02  0.306832D+02  0.295248D+02  0.456237D+02
      6   0.110344D+02  0.163988D+02  0.208083D+02  0.260336D+02
 Leave Link  716 at Wed Sep 29 13:56:12 2021, MaxMem=  8589934592 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.312154D+03 -0.211873D+02 -0.832038D+01
      2  -0.211873D+02  0.187375D+03 -0.486432D+01
      3  -0.832038D+01 -0.486432D+01  0.124834D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.132287D+02  0.205893D+02  0.319695D+01
      2  -0.886304D+02 -0.310216D+01 -0.271128D+02
      3   0.118681D+03 -0.440501D+02 -0.424496D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.459570D+03 -0.122618D+03 -0.940413D+02
      2  -0.196691D+03  0.101232D+03  0.888566D+01
      3  -0.262879D+03  0.213865D+02  0.851556D+02
      4  -0.775823D+02  0.930877D+02 -0.743583D+01
      5  -0.132224D+02 -0.117893D+01 -0.891001D+02
      6  -0.544326D+01  0.195593D+02 -0.247313D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.413218D+02 -0.807070D+01 -0.974685D+00 -0.397971D+01  0.364985D+01
      2  -0.807070D+01  0.106900D+02 -0.107467D+00  0.364985D+01 -0.140567D+02
      3  -0.974685D+00 -0.107467D+00  0.432317D+01  0.333932D+00  0.154753D+01
                 6             7             8             9            10 
      1   0.333932D+00 -0.217656D+01  0.108960D+01  0.774140D+01  0.311418D+01
      2   0.154753D+01  0.108960D+01  0.954363D-01 -0.144191D+01  0.107801D+01
      3  -0.655365D-01  0.774140D+01 -0.144191D+01 -0.146237D+01 -0.203546D-01
                11            12            13            14            15 
      1   0.107801D+01 -0.203546D-01 -0.181728D+02  0.366042D+01  0.125260D+01
      2   0.113252D+02 -0.163841D+01  0.366042D+01  0.345096D+01 -0.145611D+01
      3  -0.163841D+01  0.274823D+01  0.125260D+01 -0.145611D+01 -0.189536D+01
                16            17            18            19            20 
      1   0.221260D+01 -0.412974D+00  0.395597D+01 -0.418936D+02  0.135439D+02
      2  -0.412974D+00 -0.216935D+01 -0.292787D+01  0.135439D+02 -0.938193D+01
      3   0.395597D+01 -0.292787D+01 -0.300445D+00  0.125929D+01  0.599920D+00
                21            22            23            24            25 
      1   0.125929D+01  0.225394D+02 -0.628442D+01 -0.588386D+00  0.199376D+01
      2   0.599920D+00 -0.628442D+01  0.791859D+01  0.381024D+00 -0.181125D+00
      3  -0.500899D+00 -0.588386D+00  0.381024D+00  0.273168D+01  0.773894D+00
                26            27            28            29            30 
      1  -0.181125D+00  0.773894D+00  0.427798D+02 -0.123442D+02 -0.114206D+01
      2   0.107922D+01  0.464224D+01 -0.123442D+02  0.352911D+01  0.456751D+00
      3   0.464224D+01 -0.139871D+01 -0.114206D+01  0.456751D+00 -0.270059D-01
                31            32            33            34            35 
      1   0.435416D+02 -0.741767D+01 -0.302134D+01 -0.856310D+01  0.228110D+01
      2  -0.741767D+01  0.809132D+01  0.280193D+00  0.228110D+01 -0.984648D+00
      3  -0.302134D+01  0.280193D+00 -0.286376D+00  0.127409D+01  0.944029D+00
                36            37            38            39            40 
      1   0.127409D+01 -0.463850D+02  0.120574D+02  0.120012D+01 -0.399260D+02
      2   0.944029D+00  0.120574D+02 -0.767110D+01 -0.622987D+00  0.679690D+01
      3  -0.191978D+00  0.120012D+01 -0.622987D+00  0.148803D+00  0.277465D+01
                41            42            43            44            45 
      1   0.679690D+01  0.277465D+01  0.869971D+01 -0.189766D+01 -0.133029D+01
      2  -0.582785D+01 -0.103536D+00 -0.189766D+01  0.122419D+01 -0.865848D+00
      3  -0.103536D+00  0.119533D+00 -0.133029D+01 -0.865848D+00  0.327523D+00
                46            47            48            49            50 
      1  -0.108504D+01 -0.273066D+01  0.812011D+00 -0.402916D+01  0.458701D+01
      2  -0.273066D+01 -0.585646D+01  0.363627D+00  0.458701D+01 -0.306269D+01
      3   0.812011D+00  0.363627D+00 -0.252280D+01 -0.807905D+00 -0.811139D+00
                51            52            53            54            55 
      1  -0.807905D+00  0.893792D+00 -0.612197D+00 -0.360832D+00  0.472054D+01
      2  -0.811139D+00 -0.612197D+00  0.210392D-01 -0.437098D+01  0.170963D+01
      3  -0.145931D+01 -0.360832D+00 -0.437098D+01  0.154895D+01 -0.157594D+01
                56            57            58            59            60 
      1   0.170963D+01 -0.157594D+01  0.260164D+01 -0.455978D+01  0.782922D+00
      2   0.109046D+02  0.995683D-01 -0.455978D+01  0.977374D+00  0.904669D+00
      3   0.995683D-01  0.211774D+01  0.782922D+00  0.904669D+00  0.160945D+01
                61            62            63            64            65 
      1  -0.823957D+00  0.891305D+00  0.885468D+00 -0.340093D+00 -0.170730D+01
      2   0.891305D+00 -0.381240D-01  0.487874D+01 -0.170730D+01 -0.156185D+02
      3   0.885468D+00  0.487874D+01 -0.154928D+01  0.133506D+00  0.127047D+01
                66            67            68            69            70 
      1   0.133506D+00  0.163731D+02 -0.818590D+00 -0.846014D+00 -0.595392D+01
      2   0.127047D+01 -0.818590D+00 -0.718300D+01  0.131573D+01 -0.351102D-01
      3  -0.291923D+01 -0.846014D+00  0.131573D+01  0.152956D+01 -0.603517D+01
                71            72            73            74            75 
      1  -0.351102D-01 -0.603517D+01 -0.624802D+02  0.630473D+01  0.195752D+01
      2   0.321038D+01  0.280288D+01  0.630473D+01 -0.550629D+01  0.321927D+00
      3   0.280288D+01  0.850295D+00  0.195752D+01  0.321927D+00 -0.173615D+01
                76            77            78            79            80 
      1   0.846220D+01 -0.400573D+01 -0.954016D+00  0.248417D+01 -0.102531D+01
      2  -0.400573D+01  0.177453D+02 -0.144744D+01 -0.102531D+01 -0.910632D+00
      3  -0.954016D+00 -0.144744D+01 -0.513120D+00 -0.649823D+01  0.742690D+00
                81            82            83            84            85 
      1  -0.649823D+01  0.517555D+02 -0.127017D+02 -0.145387D+01 -0.281837D+02
      2   0.742690D+00 -0.127017D+02  0.116207D+02 -0.521572D+00  0.368216D+01
      3   0.119984D+01 -0.145387D+01 -0.521572D+00  0.270781D+00  0.581308D+00
                86            87            88            89            90 
      1   0.368216D+01  0.581308D+00 -0.480691D+01  0.109153D+00 -0.580636D+00
      2  -0.766972D+01  0.166052D+00  0.109153D+00 -0.883406D+00 -0.331328D+01
      3   0.166052D+00 -0.198265D+01 -0.580636D+00 -0.331328D+01  0.136802D+01
                91            92            93            94            95 
      1   0.135174D+02 -0.148227D+01 -0.103006D+01  0.786478D+01  0.246091D+01
      2  -0.148227D+01  0.236464D+01  0.165041D+00  0.246091D+01 -0.264513D+01
      3  -0.103006D+01  0.165041D+00  0.240415D+01 -0.797302D+00 -0.371492D+00
                96            97            98            99           100 
      1  -0.797302D+00  0.696489D+01  0.634406D+00  0.861329D+01 -0.115946D+02
      2  -0.371492D+00  0.634406D+00  0.262705D+00  0.291871D+01  0.481997D+01
      3   0.403157D+01  0.861329D+01  0.291871D+01 -0.336181D+00 -0.827924D-03
               101           102           103           104           105 
      1   0.481997D+01 -0.827924D-03 -0.261965D+01  0.388299D+01 -0.350939D+00
      2  -0.520834D+01  0.439789D-02  0.388299D+01  0.659281D+00 -0.506023D+00
      3   0.439789D-02 -0.540327D+00 -0.350939D+00 -0.506023D+00 -0.144582D+01
               106           107           108           109           110 
      1   0.140402D+01 -0.804353D+00 -0.222161D+00  0.179258D+01 -0.512169D+01
      2  -0.804353D+00  0.609374D+00  0.801852D+00 -0.512169D+01  0.239506D+01
      3  -0.222161D+00  0.801852D+00  0.754018D-01  0.242068D+00  0.829583D+00
               111           112           113           114           115 
      1   0.242068D+00 -0.377009D+01 -0.258832D+01  0.922325D+00 -0.374348D+00
      2   0.829583D+00 -0.258832D+01  0.182535D+01  0.117167D+01  0.102722D+01
      3  -0.537463D-01  0.922325D+00  0.117167D+01  0.654257D+01 -0.311734D+01
               116           117           118           119           120 
      1   0.102722D+01 -0.311734D+01  0.611163D+01 -0.331429D+01 -0.272254D+00
      2   0.615562D+00  0.508675D+01 -0.331429D+01  0.284082D+01  0.659471D-02
      3   0.508675D+01 -0.117772D+01 -0.272254D+00  0.659471D-02  0.186417D+00
               121           122           123           124           125 
      1  -0.475156D+01  0.476604D+01 -0.152637D+00 -0.325770D+00 -0.228156D+00
      2   0.476604D+01 -0.566981D+01  0.994941D-01 -0.228156D+00  0.277678D+00
      3  -0.152637D+00  0.994941D-01 -0.452809D+00 -0.498071D+00 -0.179626D-01
               126           127           128           129           130 
      1  -0.498071D+00  0.180400D+01  0.288290D+01 -0.405377D+00  0.349936D+01
      2  -0.179626D-01  0.288290D+01  0.232526D+01 -0.458961D+00  0.393427D+01
      3   0.136124D+00 -0.405377D+00 -0.458961D+00  0.436057D+00 -0.615832D+00
               131           132           133           134           135 
      1   0.393427D+01 -0.615832D+00 -0.545305D+00 -0.671380D+00  0.263713D+00
      2   0.792593D+01 -0.105694D+01 -0.671380D+00 -0.103490D+01  0.161545D+00
      3  -0.105694D+01  0.927348D+00  0.263713D+00  0.161545D+00 -0.150894D+00
               136           137           138           139           140 
      1  -0.487774D+00 -0.167178D+01  0.233752D+00 -0.245114D+00 -0.120970D+01
      2  -0.167178D+01 -0.242111D+01  0.415561D+00 -0.120970D+01 -0.957915D+01
      3   0.233752D+00  0.415561D+00 -0.202682D+00  0.125683D+00  0.109391D+01
               141           142           143           144           145 
      1   0.125683D+00  0.120548D+00  0.343093D+00  0.664075D-01  0.987743D+00
      2   0.109391D+01  0.343093D+00  0.124968D+01 -0.153925D+00  0.182803D+01
      3  -0.853688D+00  0.664075D-01 -0.153925D+00  0.107780D+00 -0.252367D+00
               146           147           148           149           150 
      1   0.182803D+01 -0.252367D+00  0.810519D+00  0.181594D+01 -0.154232D+00
      2   0.284074D+01 -0.444007D+00  0.181594D+01  0.110185D+02 -0.114411D+01
      3  -0.444007D+00  0.214603D+00 -0.154232D+00 -0.114411D+01  0.895390D+00
               151           152           153           154           155 
      1   0.619129D+00 -0.474889D+00  0.194094D+00 -0.568923D+01  0.365554D+01
      2  -0.474889D+00 -0.144976D+01  0.130153D+00  0.365554D+01 -0.367263D+01
      3   0.194094D+00  0.130153D+00 -0.724049D-01  0.280512D+00 -0.568487D-01
               156           157           158           159           160 
      1   0.280512D+00  0.378161D+01 -0.488377D+01  0.174831D+00  0.567863D-01
      2  -0.568487D-01 -0.488377D+01  0.649341D+01 -0.242641D-02  0.343919D+00
      3  -0.341896D+00  0.174831D+00 -0.242641D-02  0.626083D+00  0.425544D+00
               161           162           163           164           165 
      1   0.343919D+00  0.425544D+00 -0.178944D+01 -0.212247D+01  0.360052D+00
      2  -0.333588D+00  0.219497D+00 -0.212247D+01 -0.916818D+00  0.262956D+00
      3   0.219497D+00 -0.233871D+00  0.360052D+00  0.262956D+00 -0.349015D+00
               166           167           168           169           170 
      1  -0.279863D+01 -0.300683D+01  0.491913D+00 -0.203746D+00  0.310516D+00
      2  -0.300683D+01 -0.566785D+01  0.804188D+00  0.310516D+00  0.403448D+00
      3   0.491913D+00  0.804188D+00 -0.862146D+00 -0.401721D+00 -0.261881D+00
               171           172           173           174           175 
      1  -0.401721D+00 -0.164272D+01  0.233780D+01  0.188482D+00  0.470928D+01
      2  -0.261881D+00  0.233780D+01 -0.173284D+01 -0.262639D+00 -0.251514D+01
      3  -0.175747D-01  0.188482D+00 -0.262639D+00 -0.891460D+00 -0.617060D+00
               176           177           178           179           180 
      1  -0.251514D+01 -0.617060D+00 -0.130386D+00 -0.293455D+00 -0.126789D+01
      2   0.507339D+01  0.402458D+00 -0.293455D+00  0.302503D+00  0.544023D+00
      3   0.402458D+00  0.989383D+00 -0.126789D+01  0.544023D+00  0.401081D+00
               181           182           183           184           185 
      1   0.114927D+02  0.160574D+01 -0.201079D+01 -0.251077D+01 -0.198261D+01
      2   0.160574D+01 -0.148012D+01 -0.492849D+00 -0.198261D+01  0.236199D+01
      3  -0.201079D+01 -0.492849D+00 -0.314492D+01  0.120467D+01 -0.311713D+00
               186           187           188           189           190 
      1   0.120467D+01  0.434095D+01  0.597597D+00 -0.489024D+01  0.723089D+01
      2  -0.311713D+00  0.597597D+00  0.269339D+00 -0.344689D+01 -0.862777D+00
      3  -0.548005D+01 -0.489024D+01 -0.344689D+01 -0.708208D+00  0.337428D+01
               191           192           193           194           195 
      1  -0.862777D+00  0.337428D+01 -0.506037D+01 -0.109161D+01 -0.310362D+01
      2  -0.512054D+00 -0.117117D+01 -0.109161D+01 -0.180235D+00 -0.106226D+00
      3  -0.117117D+01  0.137037D+01 -0.310362D+01 -0.106226D+00 -0.598345D+01
               196           197           198           199           200 
      1   0.894091D+01 -0.184535D+01  0.420221D+00  0.150406D+02  0.200547D+01
      2  -0.184535D+01 -0.359502D+00 -0.307620D+01  0.200547D+01  0.895449D+00
      3   0.420221D+00 -0.307620D+01  0.136290D+00 -0.139655D+01 -0.204700D+00
               201           202           203           204           205 
      1  -0.139655D+01  0.590974D+01  0.172485D+01 -0.540664D+00 -0.178745D+01
      2  -0.204700D+00  0.172485D+01  0.134032D+01 -0.295998D+00 -0.236053D+00
      3   0.115832D+01 -0.540664D+00 -0.295998D+00  0.334641D+00  0.181549D+01
               206           207           208           209           210 
      1  -0.236053D+00  0.181549D+01 -0.994643D+00  0.168401D+00 -0.706340D+00
      2  -0.264050D+00 -0.181763D+00  0.168401D+00 -0.667215D+00 -0.153434D+00
      3  -0.181763D+00 -0.414734D+00 -0.706340D+00 -0.153434D+00 -0.631119D+00
               211           212           213           214           215 
      1  -0.197378D+01  0.235662D+01  0.163192D+01 -0.383229D+01  0.183686D+01
      2   0.235662D+01 -0.377168D+01 -0.286008D+01  0.183686D+01 -0.280625D+01
      3   0.163192D+01 -0.286008D+01 -0.327679D+01  0.301136D+01 -0.344475D+01
               216           217           218           219           220 
      1   0.301136D+01  0.390674D+00 -0.862327D-01  0.132688D+01 -0.170545D+01
      2  -0.344475D+01 -0.862327D-01 -0.226572D+00 -0.460440D+00  0.210749D+01
      3  -0.466919D+01  0.132688D+01 -0.460440D+00  0.647075D-01 -0.160743D+01
               221           222           223           224           225 
      1   0.210749D+01 -0.160743D+01  0.562875D+01 -0.230559D+01  0.369000D+01
      2  -0.236582D+01  0.184959D+01 -0.230559D+01  0.221425D+01 -0.301428D+01
      3   0.184959D+01 -0.261676D+01  0.369000D+01 -0.301428D+01  0.546403D+01
               226           227           228           229           230 
      1   0.745968D-01  0.439569D+00  0.103647D+01  0.165294D+01  0.305688D+00
      2   0.439569D+00  0.560109D+00  0.430148D+00  0.305688D+00  0.106600D+01
      3   0.103647D+01  0.430148D+00  0.256866D+01 -0.376121D+00  0.163683D+01
               231           232           233           234           235 
      1  -0.376121D+00  0.136567D+01  0.184089D+00  0.181425D+00 -0.198187D-02
      2   0.163683D+01  0.184089D+00  0.125547D+01  0.174979D+01 -0.642527D+00
      3   0.384285D+01  0.181425D+00  0.174979D+01  0.805641D+01 -0.106939D+00
               236           237           238           239           240 
      1  -0.642527D+00 -0.106939D+00 -0.231927D+01  0.171998D-01  0.447200D+00
      2   0.112661D+01 -0.320194D+00  0.171998D-01 -0.516417D+01  0.112016D+01
      3  -0.320194D+00  0.105657D+01  0.447200D+00  0.112016D+01 -0.136272D+01
               241           242           243           244           245 
      1  -0.651224D+00 -0.240308D+00  0.504338D+00 -0.171170D+02 -0.209047D+01
      2  -0.240308D+00  0.355319D+00 -0.386454D+00 -0.209047D+01 -0.983450D+00
      3   0.504338D+00 -0.386454D+00  0.260155D+00  0.447182D+01  0.637691D+00
               246           247           248           249           250 
      1   0.447182D+01 -0.189827D+01 -0.142316D+01  0.284425D+00  0.100890D+01
      2   0.637691D+00 -0.142316D+01 -0.545404D+00  0.510767D+00  0.158750D+00
      3  -0.249865D+01  0.284425D+00  0.510767D+00  0.253550D+00 -0.156850D+01
               251           252           253           254           255 
      1   0.158750D+00 -0.156850D+01 -0.119343D+02  0.276986D+01 -0.493459D+01
      2  -0.567461D-01  0.467512D-01  0.276986D+01 -0.122724D+01  0.913327D+00
      3   0.467512D-01  0.103421D+01 -0.493459D+01  0.913327D+00 -0.290028D+01
               256           257           258           259           260 
      1   0.112281D+02 -0.185022D+01  0.328684D+01 -0.154722D+02  0.126581D+01
      2  -0.185022D+01  0.386713D+01 -0.225915D+01  0.126581D+01 -0.170551D+01
      3   0.328684D+01 -0.225915D+01  0.405329D+01 -0.669149D+01  0.279519D+01
               261           262           263           264           265 
      1  -0.669149D+01  0.268316D+01 -0.481823D+00  0.100864D+01 -0.805090D+01
      2   0.279519D+01 -0.481823D+00  0.124236D+01  0.135186D+01 -0.503494D+00
      3  -0.745310D+01  0.100864D+01  0.135186D+01  0.185964D+01  0.134433D+01
               266           267           268           269           270 
      1  -0.503494D+00  0.134433D+01  0.186615D+01  0.276105D+01  0.309747D+01
      2  -0.327384D+01  0.122643D+01  0.276105D+01  0.328556D+01  0.218590D+01
      3   0.122643D+01  0.204169D+01  0.309747D+01  0.218590D+01  0.502916D+01
               271           272           273           274           275 
      1  -0.138215D+01 -0.177602D+01 -0.160241D+01 -0.978966D+00 -0.160729D+01
      2  -0.177602D+01 -0.157811D+01 -0.121374D+01 -0.160729D+01 -0.315182D+01
      3  -0.160241D+01 -0.121374D+01 -0.166803D+01 -0.110605D+01 -0.177832D+01
               276           277           278           279 
      1  -0.110605D+01 -0.295361D+01 -0.257056D+01 -0.345161D+01
      2  -0.177832D+01 -0.257056D+01 -0.373470D+01 -0.374674D+01
      3  -0.199199D+01 -0.345161D+01 -0.374674D+01 -0.585864D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.553897D+00  0.548097D+01 -0.274903D+01  0.531875D+01 -0.142608D+01
      2  -0.133034D+02  0.514811D+01  0.218211D+01  0.831507D+01 -0.459840D+01
      3   0.971977D+01  0.173944D+02 -0.164898D+01  0.474424D+02 -0.538355D+01
                 6             7             8             9            10 
      1   0.389155D+01 -0.543082D+00  0.160279D+02 -0.178519D+01 -0.532828D+00
      2  -0.168695D+00  0.429055D+01  0.273611D+01 -0.281655D+01 -0.136577D+01
      3  -0.330606D+01 -0.535646D+01 -0.275418D+01  0.460468D+01 -0.269974D+02
                11            12            13            14            15 
      1   0.408140D+01  0.621293D+01 -0.666496D+00 -0.263223D+00 -0.224371D+01
      2   0.174888D+01  0.848896D+01  0.218673D+01 -0.247633D+01 -0.524661D+01
      3   0.366775D+01 -0.154073D+00 -0.268155D+02 -0.111492D+02  0.371222D+01
                16            17            18            19            20 
      1   0.125797D+02  0.503945D+01 -0.300211D+01 -0.240259D+01 -0.454711D+01
      2  -0.581992D+01 -0.128019D+02  0.214806D+00  0.127065D+02 -0.690398D+01
      3   0.469415D+01  0.152894D+01  0.543166D-01 -0.368341D+02 -0.296665D+02
                21            22            23            24            25 
      1   0.998816D+00 -0.136262D+01  0.270174D+01 -0.376885D+01 -0.820796D+01
      2   0.338400D+01 -0.857003D+01  0.656061D+01  0.553770D+01 -0.169584D+02
      3   0.456836D+01  0.847850D+01  0.106441D+02 -0.293218D+01  0.444507D+01
                26            27            28            29            30 
      1   0.305204D+01  0.101195D+01  0.881496D+00  0.510246D+01 -0.984856D+00
      2   0.196465D+02 -0.255269D+01 -0.187681D+02  0.943227D+01 -0.527948D+01
      3  -0.126038D+01 -0.977466D+01  0.329770D+02  0.401293D+02 -0.599529D+01
                31            32            33            34            35 
      1   0.557305D+01  0.462373D-01  0.135750D+01 -0.635935D+01  0.643090D+01
      2  -0.613823D+01 -0.251064D+01  0.682448D+00 -0.211150D+02  0.222677D+01
      3   0.775029D+02 -0.320920D+02 -0.276817D+01 -0.861910D+01 -0.199278D+01
                36            37            38            39            40 
      1   0.123543D+00 -0.167756D+01  0.349176D+01 -0.114038D+01  0.330140D+01
      2   0.199106D+01  0.159381D+02  0.281546D+01 -0.909144D-01  0.113862D+02
      3   0.493239D+00 -0.293411D+02  0.493485D+02 -0.527917D+01  0.243831D+02
                41            42            43            44            45 
      1  -0.398752D+01 -0.153132D+00 -0.429843D+01  0.768192D+01 -0.280700D+00
      2  -0.510570D+01 -0.293199D+00 -0.240889D+02  0.296674D+01  0.136784D+01
      3  -0.317893D+02  0.154480D+01  0.367671D+01 -0.258388D+01  0.100560D+01
                46            47            48            49            50 
      1   0.273463D+01 -0.560539D+01 -0.535866D+01 -0.133460D+01  0.238950D+01
      2  -0.230387D+01 -0.505152D+01 -0.659999D+01 -0.417922D+00  0.229184D+01
      3   0.449489D+02 -0.353954D+02  0.353631D+01 -0.113733D+02  0.370306D+02
                51            52            53            54            55 
      1  -0.304507D+01 -0.684345D+01 -0.297526D+01  0.212511D+01  0.197281D+01
      2  -0.197410D+01 -0.244007D+02 -0.343977D+01  0.457555D+01  0.716811D+01
      3  -0.211891D+01  0.148870D+01  0.165520D+01  0.112689D+02  0.364492D+02
                56            57            58            59            60 
      1  -0.171462D+01 -0.596570D+01 -0.352216D+01  0.197069D+01 -0.415727D+01
      2  -0.619091D+01  0.577006D+00 -0.499727D+01  0.495374D+01 -0.279358D+00
      3  -0.341221D+02  0.187231D+01 -0.928287D+01  0.282381D+02 -0.156202D+01
                61            62            63            64            65 
      1  -0.803646D+01 -0.588798D+01  0.429956D+01  0.358179D-01 -0.196950D+01
      2  -0.179774D+02 -0.465604D+00  0.186027D+01 -0.635492D+01  0.109830D+01
      3  -0.322027D+00  0.173779D+01  0.483708D+01 -0.186527D+02  0.505954D+01
                66            67            68            69            70 
      1   0.764869D+01  0.405864D+01 -0.199617D+01 -0.678470D+00  0.150537D+02
      2   0.362664D+01 -0.102133D+02 -0.158030D+01 -0.305429D+01 -0.139153D+01
      3  -0.217796D+01  0.118823D+02 -0.921102D+00 -0.191490D+01 -0.495389D+01
                71            72            73            74            75 
      1   0.597112D+01 -0.335770D+01 -0.867707D+01  0.208760D+01 -0.360512D+00
      2  -0.962009D+01  0.249974D+01  0.237211D+02 -0.157061D+01  0.322784D+00
      3  -0.561120D+00 -0.696904D+01 -0.591163D+02  0.163714D+02  0.203373D+00
                76            77            78            79            80 
      1   0.148233D+01  0.544197D+01  0.117177D+00  0.309984D+01  0.154745D+02
      2   0.262408D+00  0.134455D+01  0.210103D+01 -0.129327D+02  0.241479D+01
      3   0.428923D+02 -0.123903D+02  0.139436D+01  0.197066D-01 -0.216235D+01
                81            82            83            84            85 
      1  -0.287837D+01  0.233520D+01 -0.120051D+01  0.117527D+01 -0.203675D+01
      2   0.181223D+01 -0.243713D+02  0.649885D+00 -0.407005D+00  0.124245D+02
      3  -0.472320D+01  0.324304D+02 -0.458709D+02  0.512697D+01 -0.184737D+02
                86            87            88            89            90 
      1  -0.104154D+01 -0.124584D+01 -0.534633D+01  0.402875D+01 -0.470877D+00
      2  -0.797733D-01  0.269351D+01 -0.189776D+02  0.101414D+02 -0.566421D+00
      3   0.604318D+01 -0.793672D+00 -0.167288D+01  0.267721D+01 -0.199999D+01
                91            92            93            94            95 
      1   0.480694D+01  0.229351D+01  0.794881D+00  0.562799D+01 -0.172870D+01
      2  -0.880876D+01  0.878268D-01 -0.304498D+01 -0.686512D+01 -0.117191D+01
      3   0.197540D+02  0.222890D+01  0.142564D+01  0.360213D+02 -0.164021D+02
                96            97            98            99           100 
      1  -0.562366D+01  0.397195D+01  0.176882D+01  0.192858D+01  0.125300D+01
      2  -0.118939D+02 -0.455377D+02 -0.104351D+02 -0.455031D+01  0.574202D+01
      3  -0.160542D+01  0.120072D+02 -0.613446D+00  0.197079D+02 -0.261306D+01
               101           102           103           104           105 
      1  -0.551753D+01  0.329140D+01 -0.642801D-01 -0.124407D+01 -0.555861D+01
      2  -0.403436D+01  0.139780D+02 -0.144169D+01 -0.215303D+01 -0.836760D+01
      3  -0.441765D+02  0.224431D+01 -0.611818D+01 -0.592475D+01  0.195710D+01
               106           107           108           109           110 
      1   0.162466D+01 -0.198791D+01  0.189552D+00  0.123227D+01  0.210609D+01
      2  -0.848543D+01  0.301747D+01 -0.297833D+00  0.294904D+00  0.526976D+01
      3   0.862439D+00  0.471406D+01 -0.381545D+01  0.383691D+02  0.609990D+01
               111           112           113           114           115 
      1  -0.114431D+01  0.149438D+01 -0.968882D+00  0.709193D+01 -0.143065D+02
      2  -0.183639D+01  0.631925D+01  0.541528D+01  0.417993D+02 -0.217655D+02
      3  -0.749638D+01  0.266271D+02 -0.308488D+02 -0.763715D+01 -0.655670D+01
               116           117           118           119           120 
      1   0.949921D+01 -0.253371D+01 -0.135478D+01  0.497935D+00  0.162554D+01
      2   0.326346D+02 -0.797291D+01 -0.221186D+01  0.640515D+00  0.144058D+01
      3  -0.526504D+01 -0.324602D+02 -0.488154D+01 -0.434223D+01  0.717114D+00
               121           122           123           124           125 
      1   0.418723D-01 -0.191638D+00 -0.285585D+01 -0.263430D+01  0.122876D+01
      2   0.196757D+00 -0.251749D+00 -0.270698D+01 -0.274836D+01  0.256365D+00
      3  -0.518555D+01  0.131149D+02 -0.214060D+00  0.169045D+01 -0.915600D+00
               126           127           128           129           130 
      1   0.376741D+00  0.146810D+00  0.194034D+00 -0.145127D+01  0.305306D+00
      2   0.656969D+00 -0.954999D+00 -0.109649D+01  0.192216D+01 -0.122684D+01
      3   0.103641D+01 -0.440657D+01 -0.413705D+01  0.802220D+00 -0.292187D+01
               131           132           133           134           135 
      1  -0.179871D+00 -0.377350D+01  0.152689D+00  0.167655D+01  0.387603D+00
      2  -0.285484D+01  0.354615D+01 -0.195255D+01 -0.188297D+00 -0.266198D+00
      3  -0.192283D+02  0.221503D+01  0.119039D+01  0.225185D+01  0.363310D+00
               136           137           138           139           140 
      1   0.316603D+00  0.149372D+00 -0.139666D+01 -0.544406D-01 -0.480910D+00
      2   0.861677D+00  0.984238D+00  0.293329D+00  0.505616D+00  0.190210D+01
      3   0.823822D+01  0.590725D+01 -0.135449D+01  0.594775D+01  0.195484D+02
               141           142           143           144           145 
      1  -0.422072D+01  0.407460D+00  0.308047D+01  0.115694D+00  0.105590D+01
      2  -0.311500D+00 -0.108314D+00  0.871430D-01 -0.223242D+00  0.463915D+00
      3  -0.231335D+01 -0.159473D+01 -0.285175D+01 -0.417355D+00  0.568967D+01
               146           147           148           149           150 
      1   0.114943D+01 -0.168743D+01  0.794565D+00  0.294881D+01 -0.521912D+01
      2   0.479502D-01  0.920446D+00  0.183934D+00 -0.149871D+00  0.121996D+01
      3   0.308995D+01 -0.900289D+00  0.535959D+01  0.422191D+01 -0.649226D+00
               151           152           153           154           155 
      1   0.124688D+01  0.232667D+01  0.223286D+00  0.146007D+00 -0.504595D+00
      2  -0.163871D+01  0.119092D+01 -0.670475D+00 -0.208170D+00 -0.207420D+00
      3  -0.306143D+00 -0.128470D+01 -0.667286D+00 -0.103230D+02  0.143010D+01
               156           157           158           159           160 
      1   0.243616D+01 -0.182390D+01  0.168071D+01 -0.338447D+01 -0.276589D+01
      2   0.185381D+01 -0.753329D+00  0.497573D+00 -0.265276D+01 -0.229388D+01
      3   0.514202D+00  0.330048D+01  0.619686D+00  0.284731D+00  0.143346D+01
               161           162           163           164           165 
      1   0.980534D+00  0.736197D+00 -0.703145D+00  0.542902D-01 -0.138147D+01
      2   0.713068D-01  0.417047D+00  0.326798D+00  0.501267D+00  0.276184D+00
      3   0.273855D+00  0.102916D+01  0.137310D+01  0.973714D+00 -0.104585D+00
               166           167           168           169           170 
      1  -0.706283D+00 -0.204400D+01 -0.328071D+01 -0.149355D+01  0.203275D+01
      2   0.947800D+00 -0.702952D-01  0.157334D+01 -0.121237D+01 -0.864945D+00
      3   0.466183D+01 -0.463388D+01  0.298970D+00 -0.157817D+01  0.174149D+00
               171           172           173           174           175 
      1   0.138589D-01  0.103454D+01 -0.768838D+00  0.931144D+00 -0.190742D+00
      2   0.771014D+00 -0.173004D+00 -0.371177D+00  0.389842D+01  0.295874D+00
      3   0.540368D+00  0.898766D+01 -0.718483D+01 -0.101220D+01 -0.286985D+01
               176           177           178           179           180 
      1   0.293741D+01 -0.237999D+01  0.832500D-01  0.157623D+01  0.339114D+00
      2   0.478640D+00 -0.368477D+01  0.251701D+01 -0.119430D+01 -0.776344D+00
      3   0.187803D+02  0.414460D+00 -0.187292D+01  0.122232D+01  0.899984D+00
               181           182           183           184           185 
      1   0.296283D+01 -0.593960D+01 -0.209961D+01 -0.350875D+01  0.732030D+01
      2  -0.147715D+02 -0.225142D+01  0.188717D+02 -0.536878D+01  0.576655D+01
      3  -0.155520D+01 -0.130827D+02  0.202959D+01 -0.134738D+02  0.149599D+02
               186           187           188           189           190 
      1  -0.518445D+01  0.143728D+01 -0.316325D+00 -0.100770D+02 -0.231034D+00
      2   0.185435D+02  0.157201D+02  0.117592D+02  0.103206D+02  0.124842D+02
      3   0.190740D+01  0.917735D+01  0.980252D-01 -0.143789D+02 -0.926254D+01
               191           192           193           194           195 
      1  -0.798200D+01 -0.381191D+01 -0.833243D+01  0.175969D+01 -0.574591D+00
      2   0.617499D+01  0.473833D+01  0.251422D+02  0.176823D+01  0.222905D+02
      3  -0.728203D+01 -0.721031D+01 -0.807286D+01 -0.165408D+00  0.195428D+01
               196           197           198           199           200 
      1   0.333809D+01 -0.147997D+01  0.891979D+00 -0.162393D+01 -0.877006D+00
      2  -0.957062D+01  0.104529D+02 -0.124163D+02 -0.436634D+01 -0.853107D+00
      3  -0.337931D+01  0.173686D+02 -0.138128D+02 -0.226888D+02 -0.110844D+02
               201           202           203           204           205 
      1   0.295001D+00 -0.832773D+00 -0.683494D+00 -0.703033D+00  0.176683D+01
      2   0.932962D+01 -0.188104D+01 -0.124702D+01  0.239696D+01  0.862387D+01
      3   0.245327D+01 -0.131864D+02 -0.919804D+01  0.212895D+01  0.273033D+01
               206           207           208           209           210 
      1   0.206326D+00 -0.608821D-01  0.707771D+00 -0.222350D-02 -0.131928D+01
      2  -0.104159D+01 -0.217599D+01 -0.565788D+01 -0.128572D+01 -0.298249D+01
      3   0.224453D+01  0.510627D+00  0.153952D+01  0.293293D+01  0.187580D+01
               211           212           213           214           215 
      1   0.831807D+00  0.102522D+00 -0.383023D+01  0.287577D+01  0.220658D+00
      2   0.622508D+01 -0.149644D+02 -0.189727D+02  0.123425D+02 -0.197876D+02
      3  -0.116321D+02  0.280485D+02  0.166884D+02 -0.775686D+01  0.191771D+02
               216           217           218           219           220 
      1  -0.470449D+01  0.274332D+00 -0.228956D+00 -0.960055D-01 -0.210301D+01
      2  -0.254608D+02  0.913645D+01 -0.285178D+01  0.116721D+01 -0.841724D+01
      3   0.207613D+02  0.197169D+01 -0.455833D+00  0.197334D+01 -0.109214D+02
               221           222           223           224           225 
      1   0.225571D+01 -0.428240D+01  0.534944D+01 -0.119645D+01  0.759188D+01
      2   0.109038D+02 -0.162863D+02  0.176159D+02 -0.187849D+02  0.325833D+02
      3   0.190649D+02 -0.110613D+02  0.100078D+02 -0.161408D+02  0.184508D+02
               226           227           228           229           230 
      1   0.131255D+01  0.274005D+01  0.124232D+01  0.169347D+01  0.375068D+01
      2  -0.594155D+01 -0.234207D+01 -0.102269D+02 -0.240646D+01 -0.654086D+01
      3   0.174029D+01  0.212916D+01  0.412523D-01  0.316770D+01  0.326402D+01
               231           232           233           234           235 
      1   0.317156D+01  0.725248D+00  0.612948D+01  0.699739D+01 -0.288713D+01
      2  -0.131343D+02 -0.563987D+01 -0.739048D+01 -0.292657D+02 -0.140478D+01
      3   0.428546D+01  0.469403D-01  0.373746D+01  0.415278D+01 -0.701697D+01
               236           237           238           239           240 
      1   0.303555D+01  0.118762D+01  0.142242D+01 -0.117303D+02 -0.150321D+01
      2   0.267554D+01 -0.283813D+01  0.258029D+01 -0.592157D+01  0.381651D+01
      3   0.594045D+01 -0.754154D+00  0.475954D+01 -0.214059D+02  0.370868D+01
               241           242           243           244           245 
      1   0.382505D+00  0.927625D+00 -0.138508D+01 -0.201290D+01 -0.287953D+01
      2  -0.157132D+01  0.127474D+01 -0.182265D+01  0.121067D+02  0.378710D+00
      3   0.673258D+00  0.660731D+00 -0.231650D+01 -0.299790D+01 -0.745365D+01
               246           247           248           249           250 
      1  -0.291992D+00 -0.238121D+01 -0.168321D+01  0.450235D-01 -0.589018D+00
      2   0.632911D+01  0.162125D+01 -0.140311D+00 -0.105354D+01  0.270814D+01
      3   0.196188D+01 -0.376533D+01 -0.349108D+01  0.156739D+01 -0.160657D+01
               251           252           253           254           255 
      1   0.923990D+00  0.810315D+00 -0.504202D+01  0.556374D+01  0.258390D+01
      2  -0.529889D+00 -0.178141D+01  0.934854D+01 -0.253520D+01  0.114523D+02
      3   0.138362D+01  0.706273D+00  0.681476D+01 -0.969170D+01  0.390641D+01
               256           257           258           259           260 
      1   0.538996D+01 -0.601252D+01 -0.142170D+01 -0.277301D+01  0.978193D+01
      2  -0.200905D+02  0.705703D+01 -0.159662D+02  0.258947D+02 -0.986481D+01
      3   0.236250D+01  0.184092D+02 -0.848231D+01 -0.984435D+01 -0.177134D+02
               261           262           263           264           265 
      1  -0.791972D+00  0.469364D+01  0.111521D+01  0.225859D+01 -0.321994D+01
      2   0.337029D+02 -0.732868D+01 -0.644386D+01 -0.455542D+01 -0.241255D+01
      3   0.855228D+01  0.575444D+00  0.278100D+01  0.459300D+01 -0.132122D+01
               266           267           268           269           270 
      1   0.338977D+01 -0.613767D+01  0.117292D+01  0.137364D+01  0.683780D+01
      2  -0.318451D+01 -0.680090D+01 -0.933832D+01 -0.702268D+01 -0.163449D+02
      3  -0.172872D+02  0.468217D+01  0.872344D+01  0.897062D+01  0.550322D+01
               271           272           273           274           275 
      1  -0.204271D+00  0.593996D+00 -0.144317D+01 -0.103327D+01 -0.602173D+00
      2   0.383346D+01  0.390449D+01  0.522597D+01  0.260732D+01  0.606161D+01
      3  -0.429925D+01 -0.522469D+01 -0.332835D+01 -0.329928D+01 -0.102700D+02
               276           277           278           279 
      1  -0.286545D+01 -0.166322D+01  0.899429D-01 -0.610116D+01
      2   0.664679D+01  0.973616D+01  0.131482D+02  0.213431D+02
      3  -0.554145D+01 -0.744727D+01 -0.137766D+02 -0.131429D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.120073D+03 -0.410929D+02 -0.298312D+01  0.121064D+02 -0.228443D+02
      2  -0.665579D+02  0.272102D+02  0.756288D-01 -0.132517D+02  0.268650D+02
      3  -0.535147D+02  0.138826D+02  0.290749D+01  0.114532D+01 -0.402065D+01
      4  -0.215859D+02  0.331062D+02 -0.138516D+01 -0.234206D+02 -0.621031D+02
      5   0.208580D+01 -0.697582D+00  0.670440D+01  0.860807D+01  0.412591D+01
      6  -0.503172D+00  0.153663D+01  0.493189D+01  0.532039D+01 -0.380243D+01
                 6             7             8             9            10 
      1   0.350813D+01 -0.116273D+01  0.769804D+01  0.283579D+02 -0.184098D+01
      2  -0.514836D+01  0.280348D+01 -0.667520D+01 -0.255050D+02 -0.696433D+00
      3   0.164023D+01 -0.164076D+01 -0.102284D+01 -0.285291D+01  0.253742D+01
      4   0.844975D+01  0.103737D+02  0.192652D+01 -0.423232D+01  0.301997D+02
      5  -0.961955D+00  0.573644D+02 -0.100952D+02 -0.478609D+01  0.525216D+01
      6  -0.603614D+01 -0.772639D+00  0.461689D+01  0.195077D+01 -0.573359D+01
                11            12            13            14            15 
      1   0.606423D+02 -0.404564D+01 -0.862923D+02  0.316536D+02  0.234052D+01
      2  -0.406744D+02  0.217562D+00  0.577298D+02 -0.264371D+02 -0.132082D+01
      3  -0.199679D+02  0.382808D+01  0.285625D+02 -0.521653D+01 -0.101970D+01
      4   0.422952D+02 -0.851143D+01  0.339699D+02  0.260400D+02 -0.854049D+01
      5  -0.956549D+01  0.184608D+02  0.422033D+01 -0.621501D+01 -0.124032D+02
      6   0.323212D+01 -0.130052D+02 -0.608819D+01  0.292593D+01  0.619896D+01
                16            17            18            19            20 
      1   0.136214D+02 -0.124954D+02  0.350610D+00 -0.112003D+03  0.230807D+02
      2  -0.118151D+02  0.967280D+01 -0.682457D+01  0.511956D+02 -0.127502D+02
      3  -0.180628D+01  0.282255D+01  0.647396D+01  0.608070D+02 -0.103305D+02
      4  -0.718640D+01 -0.957205D+01 -0.164726D+02  0.318424D+02 -0.353805D+02
      5   0.271146D+02 -0.184424D+02  0.261833D+01  0.830379D+01  0.569359D+01
      6  -0.167422D+02  0.113893D+02  0.306302D+01  0.515502D+01  0.137926D+01
                21            22            23            24            25 
      1   0.561074D+01  0.922835D+02 -0.163428D+02 -0.623252D+01  0.199601D+01
      2  -0.247320D+01 -0.593752D+02 -0.366426D+01  0.610153D+01  0.148809D+01
      3  -0.313754D+01 -0.329082D+02  0.200071D+02  0.130988D+00 -0.348410D+01
      4   0.508135D+01 -0.161204D+02  0.260802D+02  0.308233D+01  0.267543D+01
      5   0.399102D+01 -0.323233D+01  0.438173D+01  0.127866D+02  0.729115D+01
      6  -0.217951D-02  0.229513D+01  0.601958D+01  0.634328D+01  0.505047D+01
                26            27            28            29            30 
      1   0.212966D+01 -0.163197D+02  0.994773D+02 -0.167693D+02 -0.851731D+01
      2   0.337267D+01  0.398978D-01 -0.441652D+02  0.109767D+02  0.275496D+01
      3  -0.550233D+01  0.162798D+02 -0.553122D+02  0.579254D+01  0.576235D+01
      4   0.852579D+01  0.270849D+02 -0.338712D+02  0.318911D+01  0.147787D+01
      5   0.279674D+02 -0.461646D+01 -0.732131D+01 -0.561088D+00 -0.957734D+01
      6   0.155844D+02 -0.197763D+01 -0.308901D+01  0.140476D+01  0.102897D+01
                31            32            33            34            35 
      1   0.874127D+02 -0.294666D+02 -0.566599D+01 -0.198055D+02  0.391600D+01
      2  -0.392109D+02  0.266442D+02  0.858740D+00  0.898632D+01 -0.334766D+01
      3  -0.482018D+02  0.282243D+01  0.480725D+01  0.108192D+02 -0.568341D+00
      4  -0.160734D+02  0.143054D+02 -0.875660D+00  0.469060D+01 -0.190219D+00
      5   0.342220D+01 -0.336602D+01 -0.268447D-01 -0.596584D+00  0.320948D+01
      6  -0.340578D+01  0.209626D+00 -0.285005D+01  0.458018D+01  0.478003D+01
                36            37            38            39            40 
      1  -0.771666D+01 -0.903760D+02  0.478090D+02  0.884168D+00 -0.878920D+02
      2  -0.137809D+01  0.452590D+02 -0.283719D+02 -0.172076D+01  0.478882D+02
      3   0.909475D+01  0.451171D+02 -0.194371D+02  0.836591D+00  0.400039D+02
      4   0.308774D+01  0.577005D+02 -0.611724D+01 -0.238704D+01 -0.615521D+01
      5   0.284966D+01  0.257532D+01 -0.710135D+00  0.125574D+01 -0.116679D+01
      6   0.986703D+00 -0.197436D+00 -0.102013D+01  0.167662D+01  0.379523D+01
                41            42            43            44            45 
      1   0.161948D+01  0.659638D+01  0.133263D+02 -0.639360D+01 -0.120503D+02
      2   0.181930D+01 -0.481791D+01 -0.625099D+01  0.358919D+01 -0.332304D+00
      3  -0.343879D+01 -0.177848D+01 -0.707526D+01  0.280441D+01  0.123826D+02
      4  -0.320606D+01  0.119620D+01 -0.530349D+01  0.987781D+00  0.103407D+01
      5   0.240833D+01  0.931414D-01 -0.145552D+01 -0.121486D+01  0.114381D+01
      6  -0.274262D+01 -0.400703D+00  0.222542D+01  0.343009D+01 -0.225236D+00
                46            47            48            49            50 
      1   0.778275D+01 -0.548982D+02  0.160670D+01  0.203322D+01  0.227761D+02
      2  -0.551809D+01  0.342476D+02  0.681018D+00 -0.774374D+01 -0.224895D+02
      3  -0.226466D+01  0.206506D+02 -0.228772D+01  0.571053D+01 -0.286671D+00
      4  -0.393494D+02 -0.336210D+02  0.523403D+01  0.351235D+02 -0.188943D+02
      5  -0.438991D+01  0.581636D+01 -0.147844D+02 -0.142814D+01  0.213670D+00
      6   0.485223D+01  0.211201D+01  0.105400D+02  0.783168D+00  0.614493D+01
                51            52            53            54            55 
      1  -0.513495D+01 -0.349090D+01 -0.315927D+00 -0.228809D+02  0.132056D+02
      2   0.571408D+01  0.303150D+01  0.555853D+01  0.733865D+01 -0.122133D+02
      3  -0.579134D+00  0.459400D+00 -0.524260D+01  0.155423D+02 -0.992338D+00
      4  -0.110840D+01 -0.128497D+01  0.490844D+01 -0.126496D+02  0.148004D+02
      5  -0.183227D+01  0.101455D+00 -0.142927D+02  0.801641D+01  0.769272D+01
      6   0.710459D+01 -0.654240D+00  0.209940D+02 -0.487828D+01  0.429610D+00
                56            57            58            59            60 
      1  -0.525803D+02 -0.891445D+00  0.253304D+02 -0.601203D+01 -0.440091D+01
      2   0.448461D+02  0.863329D+00 -0.224078D+02 -0.716310D+01  0.559003D+01
      3   0.773419D+01  0.281159D-01 -0.292261D+01  0.131751D+02 -0.118912D+01
      4  -0.625798D+01 -0.955673D-01 -0.343918D+01 -0.129489D+02  0.308980D+01
      5   0.290990D+01 -0.149676D+01 -0.251649D+01  0.290174D+01  0.184360D+01
      6   0.776099D+01  0.122780D+02  0.153730D+01  0.857980D+01  0.978463D+01
                61            62            63            64            65 
      1  -0.669404D+01  0.132358D+01 -0.263973D+02 -0.911189D+01  0.778909D+02
      2   0.588707D+01  0.291812D+01  0.154658D+02  0.444978D+01 -0.652931D+02
      3   0.806966D+00 -0.424171D+01  0.109315D+02  0.466211D+01 -0.125978D+02
      4   0.382754D+00  0.532048D+01  0.595976D+01  0.619117D+00 -0.189007D+02
      5   0.507055D+01  0.285957D+00  0.245864D+01 -0.465356D+00 -0.470484D+01
      6   0.375977D+01  0.277251D+02 -0.428758D+01 -0.266359D+01 -0.158288D+01
                66            67            68            69            70 
      1  -0.476949D+01 -0.250407D+02  0.339766D+02 -0.677925D+01  0.120130D+02
      2   0.320654D+01  0.315864D+02 -0.370269D+02  0.272736D+01 -0.984766D+01
      3   0.156295D+01 -0.654568D+01  0.305023D+01  0.405190D+01 -0.216537D+01
      4   0.106263D+01  0.579720D+01  0.994761D+01 -0.276797D+01 -0.126444D+01
      5   0.860294D+01  0.212611D+01 -0.607766D+01 -0.819611D+01  0.294026D+02
      6  -0.146546D+02 -0.704472D+01  0.968561D+00  0.391254D+01 -0.198956D+02
                71            72            73            74            75 
      1  -0.179367D+02 -0.137236D+02 -0.141905D+00  0.989848D+01  0.236213D+01
      2   0.145411D+02  0.357641D+01 -0.183314D+02 -0.119476D+02  0.278874D+01
      3   0.339554D+01  0.101472D+02  0.184733D+02  0.204911D+01 -0.515087D+01
      4   0.217560D+00 -0.106297D+02  0.324459D+02  0.968515D+01 -0.251136D+01
      5  -0.786623D+01 -0.676657D+00 -0.518364D+01 -0.191076D+01  0.448579D+01
      6   0.169724D+02  0.704512D+01  0.282461D+01 -0.352843D+01 -0.264871D+01
                76            77            78            79            80 
      1   0.333250D+02 -0.722590D+02  0.391247D+01  0.109377D+02  0.443479D+01
      2  -0.233908D+02  0.696108D+02 -0.541073D+01 -0.132026D+01 -0.606413D+01
      3  -0.993421D+01  0.264825D+01  0.149827D+01 -0.961747D+01  0.162934D+01
      4  -0.406246D+02  0.308812D+01  0.163066D+01  0.382485D+01 -0.244208D+01
      5   0.401246D+01  0.441717D+01  0.313299D+01  0.309711D+02 -0.193573D+01
      6   0.361070D+01  0.322723D+01 -0.250034D+01 -0.778808D+01  0.482718D+01
                81            82            83            84            85 
      1  -0.256252D+01  0.590634D+02 -0.576691D+02 -0.124377D+01  0.726803D+01
      2  -0.838188D+01 -0.292524D+02  0.420104D+02 -0.159923D+01 -0.198683D+02
      3   0.109444D+02 -0.298110D+02  0.156587D+02  0.284300D+01  0.126002D+02
      4   0.446117D+01 -0.562994D+02  0.484091D+01  0.401400D+01  0.306610D+02
      5  -0.433172D+01  0.123739D+01  0.387230D+01 -0.456889D+01 -0.162460D+01
      6   0.352179D+01  0.164967D+01  0.330740D+01  0.384768D+00  0.161822D+01
                86            87            88            89            90 
      1   0.359265D+02 -0.397553D+00 -0.326122D+01  0.634308D+01 -0.855411D+01
      2  -0.384444D+02  0.509466D+01 -0.680982D-02  0.807233D+00 -0.608458D+01
      3   0.251788D+01 -0.469711D+01  0.326803D+01 -0.715031D+01  0.146387D+02
      4  -0.600443D+01 -0.611227D+00  0.796730D+01  0.150625D+01  0.378030D+01
      5  -0.263198D+00  0.770479D+01  0.381591D+01  0.972493D+01 -0.668640D+00
      6   0.655853D+00  0.391482D+01  0.294903D+01  0.592347D+01 -0.291432D+01
                91            92            93            94            95 
      1   0.162189D+02  0.890475D+01 -0.659066D+01 -0.440080D+01 -0.144737D+02
      2  -0.815596D+01 -0.287303D+01 -0.552863D+01  0.164146D+02  0.303519D+01
      3  -0.806293D+01 -0.603172D+01  0.121193D+02 -0.120138D+02  0.114385D+02
      4  -0.120747D+02 -0.190600D+02 -0.423132D+01 -0.372903D+02  0.312573D+02
      5   0.219167D+01 -0.412036D+01 -0.147930D+02  0.594368D+01  0.463855D+01
      6  -0.577698D+01  0.286201D+01 -0.505040D+01  0.486916D+01 -0.581333D+01
                96            97            98            99           100 
      1  -0.604954D+01 -0.153208D+02 -0.369781D+01 -0.133212D+02  0.195535D+02
      2  -0.742606D+01  0.365687D+01 -0.378593D-02  0.101181D+02 -0.145217D+02
      3   0.134756D+02  0.116640D+02  0.370160D+01  0.320313D+01 -0.503179D+01
      4   0.355122D+01 -0.633579D+01 -0.650343D+00 -0.308061D+02  0.326831D+02
      5  -0.290054D+02 -0.672294D+02 -0.238068D+02  0.854201D+01 -0.334118D+01
      6  -0.495368D+01 -0.144095D+02 -0.730776D+01  0.269615D+01  0.217864D+00
               101           102           103           104           105 
      1   0.371019D+02 -0.169569D+00 -0.287956D+01  0.158635D+02 -0.429280D+01
      2  -0.225789D+02  0.243518D+01  0.502524D+01 -0.715072D+01  0.301945D+01
      3  -0.145229D+02 -0.226561D+01 -0.214568D+01 -0.871276D+01  0.127334D+01
      4   0.288677D+01  0.148552D+00  0.439400D+02  0.102820D+02 -0.461874D+01
      5   0.174232D+00  0.273505D+02 -0.622953D+01 -0.274598D+01 -0.151433D+02
      6  -0.215798D+01 -0.585718D+01 -0.198173D+01  0.451354D+00  0.100927D+02
               106           107           108           109           110 
      1  -0.353484D+00 -0.438853D+01 -0.320004D-01 -0.662516D+02 -0.505230D+02
      2   0.178715D+01  0.356338D+01  0.109995D+01  0.410631D+02  0.261496D+02
      3  -0.143366D+01  0.825152D+00 -0.106795D+01  0.251885D+02  0.243734D+02
      4  -0.604349D+01  0.290825D+00  0.744135D+01 -0.507262D+02  0.124173D+02
      5   0.594623D+01  0.588921D+01 -0.322411D+01  0.963840D+01  0.967243D+01
      6   0.342094D+01  0.359192D+01 -0.171194D+01  0.287841D+01 -0.193120D+01
               111           112           113           114           115 
      1   0.102163D+02 -0.410954D+02  0.325411D+00  0.188677D+02  0.480720D+01
      2  -0.645513D+01  0.179521D+02 -0.489781D+00 -0.874151D+01 -0.194240D+01
      3  -0.376115D+01  0.231433D+02  0.164371D+00 -0.101262D+02 -0.286480D+01
      4   0.880382D+01 -0.295296D+02  0.278526D+02  0.114385D+02  0.121822D+02
      5  -0.935381D+01  0.139359D+02  0.109043D+02  0.812769D+02 -0.361778D+02
      6   0.148439D+01  0.179385D+01 -0.575122D+01 -0.225214D+02  0.153587D+02
               116           117           118           119           120 
      1   0.156802D+02 -0.498131D+01  0.366138D+02 -0.138206D+02 -0.174780D+01
      2  -0.815947D+01 -0.356668D+00 -0.122105D+02 -0.134884D-01  0.961511D+00
      3  -0.752072D+01  0.533798D+01 -0.244034D+02  0.138340D+02  0.786290D+00
      4   0.572986D+01  0.547261D+02 -0.321494D+02  0.263731D+02  0.240638D+00
      5   0.581529D+02 -0.164962D+02 -0.240457D+00 -0.941411D+00  0.271881D+01
      6  -0.179007D+02 -0.217741D+00  0.404076D+00  0.119552D+00 -0.139044D+01
               121           122           123           124           125 
      1  -0.166662D+02  0.600070D+01  0.601327D-01 -0.257466D+01  0.571603D+00
      2  -0.445272D+01  0.152341D+02 -0.273320D-01  0.230419D+01 -0.124739D+01
      3   0.211189D+02 -0.212348D+02 -0.328007D-01  0.270466D+00  0.675784D+00
      4   0.396522D+02 -0.446068D+02  0.819000D+00 -0.938102D+00  0.180042D+01
      5  -0.270260D+01  0.305449D+01 -0.428785D+01 -0.212855D+01 -0.589181D+00
      6   0.145335D+01 -0.141545D+01  0.412102D+01  0.148629D+01  0.107393D+01
               126           127           128           129           130 
      1  -0.154582D+01  0.373354D+01  0.802387D+01 -0.658067D+00  0.517874D+01
      2   0.148112D+01  0.385188D+01  0.171970D+01 -0.637201D-02  0.868270D+01
      3   0.647016D-01 -0.758542D+01 -0.974357D+01  0.664439D+00 -0.138614D+02
      4  -0.128574D+01  0.242957D+02  0.242347D+02 -0.391587D+01  0.324852D+02
      5   0.540207D+00 -0.232250D+01 -0.281165D+01  0.389172D+01 -0.331976D+01
      6  -0.574308D+00 -0.179987D+01 -0.206462D+01  0.228635D+01 -0.287263D+01
               131           132           133           134           135 
      1  -0.113493D+02  0.132275D+01 -0.632398D+00  0.135796D+00 -0.114981D+01
      2   0.293298D+02 -0.239967D+01 -0.703821D+00 -0.236280D+01  0.262480D+01
      3  -0.179805D+02  0.107691D+01  0.133622D+01  0.222701D+01 -0.147500D+01
      4   0.557489D+02 -0.713005D+01 -0.518700D+01 -0.776205D+01  0.213657D+01
      5  -0.453025D+01  0.608670D+01  0.243685D+01  0.514973D+00 -0.119607D+01
      6  -0.577768D+01  0.660488D+01  0.258893D+01  0.308914D+01 -0.173230D+01
               136           137           138           139           140 
      1  -0.616732D+01 -0.159008D+02  0.256014D+01 -0.671420D+01 -0.489070D+02
      2   0.691023D+01  0.154306D+02 -0.189467D+01  0.658367D+01  0.587506D+02
      3  -0.742908D+00  0.470185D+00 -0.665478D+00  0.130530D+00 -0.984362D+01
      4  -0.894557D+00  0.525842D+01 -0.552311D-01  0.224420D+01 -0.136377D+02
      5   0.535195D+00  0.416899D+00  0.121943D+01  0.184949D+00  0.398165D+01
      6  -0.137178D+01 -0.305323D+01  0.188781D+01 -0.934906D+00 -0.963117D+01
               141           142           143           144           145 
      1   0.589850D+01  0.137930D+01  0.687681D+01 -0.168703D+01 -0.644758D+01
      2  -0.537193D+01 -0.106282D+01 -0.718469D+01  0.199761D+01  0.989090D+01
      3  -0.526567D+00 -0.316482D+00  0.307883D+00 -0.310577D+00 -0.344332D+01
      4   0.188654D+01  0.305833D+00  0.114642D+01  0.177772D+01  0.783011D+01
      5  -0.186303D+01  0.164494D+01  0.666962D+00 -0.512576D+00  0.114186D+00
      6   0.727754D+01  0.491061D+00  0.290670D+01 -0.156281D+01 -0.100161D+01
               146           147           148           149           150 
      1  -0.110206D+02  0.205899D+01 -0.812410D+01 -0.549908D+02  0.589377D+01
      2   0.170790D+02 -0.216694D+01  0.112260D+02  0.777816D+02 -0.690832D+01
      3  -0.605835D+01  0.107949D+00 -0.310187D+01 -0.227908D+02  0.101455D+01
      4   0.168377D+02 -0.166872D+01  0.937513D+01  0.221252D+02 -0.192471D+01
      5  -0.104168D+00  0.228268D+01 -0.352872D+00  0.112341D+01  0.108507D+01
      6  -0.228700D+01  0.238839D+01 -0.912278D+00 -0.630933D+01  0.817069D+01
               151           152           153           154           155 
      1   0.842208D+00  0.746417D+01 -0.159872D+01  0.238991D+01  0.511893D+01
      2  -0.146591D+01 -0.958164D+01  0.227643D+01  0.105833D+02 -0.160783D+02
      3   0.623704D+00  0.211747D+01 -0.677715D+00 -0.129732D+02  0.109593D+02
      4  -0.116098D+01 -0.385419D+01  0.171910D+01 -0.294454D+02  0.257921D+02
      5  -0.820938D+00  0.201318D+01 -0.982220D+00 -0.169070D+01  0.449448D+00
      6  -0.425475D+00  0.295946D+01 -0.163441D+01  0.257077D+01 -0.215450D+01
               156           157           158           159           160 
      1   0.178579D-02  0.108727D+02 -0.204714D+02 -0.270143D-01 -0.225875D+01
      2   0.858847D-01 -0.239944D+02  0.378591D+02  0.552513D-01  0.232688D+01
      3  -0.876705D-01  0.131217D+02 -0.173876D+02 -0.282370D-01 -0.681318D-01
      4   0.660678D+00  0.291652D+02 -0.358070D+02  0.213464D+00 -0.398249D+00
      5   0.342642D+01 -0.706233D+00  0.320018D+00 -0.348854D+01 -0.380163D+00
      6  -0.301665D+01 -0.974682D+00  0.219667D+01  0.526169D+01  0.199747D+01
               161           162           163           164           165 
      1   0.175057D+01 -0.120056D+00  0.361799D+01  0.178460D+00 -0.156860D+00
      2  -0.226911D+01  0.136155D+01 -0.132545D+01  0.561714D+00  0.519023D+00
      3   0.518541D+00 -0.124150D+01 -0.229254D+01 -0.740174D+00 -0.362163D+00
      4   0.124147D+01 -0.158898D+01  0.636036D+01  0.809124D+01 -0.113722D+01
      5  -0.168646D+01  0.699514D+00 -0.183976D+01 -0.164962D+01  0.251018D+01
      6   0.216053D+01 -0.952350D+00 -0.155604D+01 -0.128863D+01  0.994245D+00
               166           167           168           169           170 
      1  -0.414489D+01 -0.170847D+02  0.282617D+01  0.171168D+01  0.120493D+01
      2   0.596494D+01  0.199678D+02 -0.152677D+01 -0.106287D+01 -0.120107D+01
      3  -0.182005D+01 -0.288314D+01 -0.129940D+01 -0.648812D+00 -0.386478D-02
      4   0.116925D+02  0.168637D+02 -0.208239D+01 -0.950897D+00 -0.141023D+01
      5  -0.187044D+01 -0.170251D+01  0.330534D+01  0.342260D+01  0.495193D+00
      6  -0.300636D+01 -0.624109D+01  0.524169D+01  0.236105D+01  0.275636D+01
               171           172           173           174           175 
      1  -0.176180D+01  0.147571D+02 -0.135158D+02 -0.837654D+00 -0.187934D+02
      2   0.215156D+01 -0.198080D+01  0.388845D+01  0.890744D+00  0.511869D+01
      3  -0.389766D+00 -0.127763D+02  0.962733D+01 -0.530905D-01  0.136747D+02
      4   0.197495D+01 -0.233461D+02  0.205405D+02  0.279692D+01  0.266423D+02
      5   0.226312D+00 -0.380380D+01  0.364753D+01  0.840971D+01  0.648909D+01
      6  -0.919627D+00  0.394515D+01 -0.274956D+01 -0.294848D+00 -0.418562D+01
               176           177           178           179           180 
      1   0.632600D+01  0.441307D+00 -0.264137D+00  0.118039D+01  0.269113D+01
      2   0.945251D+01  0.238335D+00  0.127491D+01 -0.131965D+01 -0.133224D+01
      3  -0.157785D+02 -0.679642D+00 -0.101077D+01  0.139257D+00 -0.135888D+01
      4  -0.424642D+02 -0.381367D+01  0.405052D+01 -0.275677D+01 -0.471680D+01
      5  -0.484553D+01 -0.801331D+01  0.109628D+02 -0.425049D+01 -0.348344D+01
      6   0.858010D+01  0.404849D+01 -0.224269D+01  0.625597D+01  0.204411D+01
               181           182           183           184           185 
      1  -0.931412D+02 -0.161120D+02  0.340205D+02 -0.102639D+02  0.231026D+02
      2   0.505287D+02  0.148542D+02 -0.548356D+01  0.323901D+01 -0.165418D+02
      3   0.426126D+02  0.125785D+01 -0.285370D+02  0.702493D+01 -0.656088D+01
      4  -0.186437D+02  0.138699D+02  0.613087D+01  0.204157D+02 -0.170525D+02
      5   0.452642D+02  0.816329D+01  0.136181D+02 -0.475167D+01 -0.539750D+01
      6   0.450281D+01 -0.848361D+01 -0.234726D+00 -0.100092D+02  0.104218D+02
               186           187           188           189           190 
      1   0.181390D+02  0.100623D+02  0.127798D+02  0.250830D+02 -0.226128D+02
      2   0.102266D+02  0.972939D+01  0.515571D+01 -0.179742D+01  0.252032D+02
      3  -0.283656D+02 -0.197917D+02 -0.179355D+02 -0.232855D+02 -0.259042D+01
      4   0.554929D+00 -0.843502D+01  0.144956D+00  0.290071D+02  0.170606D+02
      5   0.354533D+02  0.347988D+02  0.220785D+02 -0.696028D+01 -0.365950D+02
      6   0.307881D+01  0.828824D+01  0.267433D+01 -0.190472D+02  0.564404D+01
               191           192           193           194           195 
      1   0.647029D+01 -0.135479D+02  0.290328D+02  0.417068D+01  0.161799D+02
      2  -0.406995D+01  0.187765D+02 -0.328853D+02 -0.992122D+01 -0.191410D+02
      3  -0.240034D+01 -0.522861D+01  0.385254D+01  0.575054D+01  0.296114D+01
      4  -0.422430D-01  0.961725D+01  0.865728D+01 -0.516717D+01  0.356363D+01
      5   0.100643D+02 -0.154777D+02  0.313795D+02  0.100032D+01  0.491929D+02
      6  -0.496356D+01  0.657685D+01  0.435050D+01  0.241870D+01  0.215803D+01
               196           197           198           199           200 
      1  -0.393003D+02  0.118860D+02 -0.734593D+01  0.200301D+03  0.240707D+02
      2   0.316956D+02 -0.109724D+02  0.189165D+02 -0.106787D+03 -0.135815D+02
      3   0.760467D+01 -0.913601D+00 -0.115706D+02 -0.935138D+02 -0.104892D+02
      4   0.218008D+02 -0.191452D+02  0.304410D+02  0.241619D+02  0.159395D+02
      5  -0.164162D+02  0.279986D+02 -0.185144D+02 -0.215673D+02 -0.273712D+01
      6   0.124710D+02 -0.427362D+01  0.136052D+02 -0.315179D+00 -0.653355D+00
               201           202           203           204           205 
      1  -0.170111D+02  0.675256D+02  0.213196D+02 -0.622561D+01 -0.211222D+02
      2   0.102403D+02 -0.363913D+02 -0.108500D+02  0.387451D+01  0.129618D+02
      3   0.677084D+01 -0.311343D+02 -0.104696D+02  0.235109D+01  0.816039D+01
      4  -0.239911D+01  0.266261D+02  0.168666D+02 -0.379541D+01 -0.291865D+01
      5   0.186405D+02 -0.743637D+01 -0.391678D+01  0.501902D+01  0.265450D+02
      6  -0.413220D+00 -0.123388D+01 -0.612306D+00  0.185309D+01 -0.169972D+00
               206           207           208           209           210 
      1  -0.330176D+01  0.178219D+02  0.897079D+00 -0.408944D+01 -0.121925D+02
      2   0.215151D+01 -0.106840D+02 -0.713252D+00  0.206946D+01  0.518359D+01
      3   0.115024D+01 -0.713790D+01 -0.183827D+00  0.201998D+01  0.700894D+01
      4  -0.333429D+01 -0.116832D+01 -0.774204D+00 -0.154995D+01  0.126098D+01
      5  -0.133649D+01 -0.591036D+01 -0.952448D+01  0.435838D+00 -0.312591D+01
      6   0.285787D+01 -0.794135D-01  0.225830D+01  0.108114D+01  0.228123D+01
               211           212           213           214           215 
      1  -0.175518D+02  0.245193D+01  0.646097D+00 -0.319722D+02  0.155369D+01
      2   0.751079D+01  0.503156D+01  0.122689D+01  0.181449D+02 -0.419454D+00
      3   0.100410D+02 -0.748349D+01 -0.187299D+01  0.138273D+02 -0.113424D+01
      4   0.305010D+02 -0.431276D+02 -0.301778D+02  0.220171D+02 -0.303520D+02
      5   0.193381D+02 -0.305425D+02 -0.376340D+02  0.361582D+02 -0.371904D+02
      6  -0.895618D+01  0.145131D+02  0.149229D+02 -0.119927D+02  0.154145D+02
               216           217           218           219           220 
      1   0.271574D+01  0.162014D+02 -0.460979D+01  0.133473D+02 -0.177588D+02
      2  -0.780973D+01 -0.828609D+01  0.178547D+01 -0.605466D+01  0.704874D+01
      3   0.509399D+01 -0.791528D+01  0.282431D+01 -0.729267D+01  0.107101D+02
      4  -0.349951D+02 -0.500106D+01  0.264639D+01 -0.739872D+01  0.282635D+02
      5  -0.489659D+02  0.160680D+02 -0.690107D+01  0.446925D+01 -0.205635D+02
      6   0.164238D+02 -0.373036D+01  0.138503D+01  0.253955D+00  0.584663D+01
               221           222           223           224           225 
      1   0.919373D+01 -0.938245D+01  0.500219D+02 -0.132569D+02  0.148296D+02
      2  -0.119228D-02  0.187307D+01 -0.277519D+02  0.512012D+01 -0.123987D+02
      3  -0.919254D+01  0.750938D+01 -0.222700D+02  0.813674D+01 -0.243090D+01
      4  -0.295825D+02  0.208421D+02 -0.286170D+02  0.261672D+02 -0.320802D+02
      5   0.220322D+02 -0.322602D+02  0.465215D+02 -0.352458D+02  0.639988D+02
      6  -0.714216D+01  0.107127D+02 -0.117872D+02  0.115800D+02 -0.137150D+02
               226           227           228           229           230 
      1  -0.382673D+00 -0.366525D+01 -0.198044D+02 -0.598781D+01 -0.109059D+02
      2  -0.355777D+01 -0.680659D+00 -0.118093D+01  0.449788D+01  0.642832D+00
      3   0.394044D+01  0.434591D+01  0.209853D+02  0.148993D+01  0.102630D+02
      4  -0.204623D+01 -0.374824D+01 -0.293636D+01 -0.161730D+01 -0.742599D+01
      5  -0.552198D+01 -0.636074D+00 -0.790006D+01  0.595987D+01 -0.809937D+01
      6   0.151995D+01  0.344165D+01  0.164540D+01  0.477580D+00  0.651216D+01
               231           232           233           234           235 
      1  -0.142574D+02 -0.112067D+02 -0.897147D+01 -0.370549D+02  0.121311D+01
      2  -0.753183D+01  0.512938D+01 -0.405464D+01 -0.195859D+02  0.165853D+01
      3   0.217892D+02  0.607732D+01  0.130261D+02  0.566408D+02 -0.287164D+01
      4  -0.110199D+02 -0.139917D+01 -0.871619D+01 -0.129270D+02  0.419377D+01
      5  -0.239222D+02  0.743004D+01 -0.950747D+01 -0.461712D+02  0.163961D+00
      6   0.998517D+01  0.692558D+00  0.837532D+01  0.799408D+01 -0.249595D+01
               236           237           238           239           240 
      1   0.103673D+02 -0.616553D+01  0.126950D+02 -0.209062D+02  0.405415D+01
      2  -0.786560D+01 -0.881110D-01 -0.777125D+01  0.225151D+02 -0.493695D+00
      3  -0.250169D+01  0.625364D+01 -0.492374D+01 -0.160890D+01 -0.356045D+01
      4  -0.604396D+01  0.130364D+01  0.362952D+01  0.335135D+02 -0.740733D+01
      5  -0.126242D+01 -0.477802D+01 -0.864886D+01 -0.311958D+01  0.888210D+01
      6   0.589147D+01 -0.260532D+01  0.317795D+00 -0.220612D+02  0.848128D+01
               241           242           243           244           245 
      1   0.459929D+00  0.208153D+01 -0.773589D+01  0.124418D+03  0.114896D+02
      2  -0.164226D+01 -0.702120D+00  0.252116D+01 -0.733585D+02 -0.591678D+01
      3   0.118234D+01 -0.137941D+01  0.521473D+01 -0.510593D+02 -0.557285D+01
      4   0.134022D+01 -0.123674D+01  0.150566D+01  0.281093D+02  0.150651D+02
      5  -0.217977D+01  0.151825D+01  0.593362D+00 -0.725631D+02 -0.865551D+01
      6  -0.897892D+00  0.509008D+01 -0.118550D+01 -0.709411D+01 -0.523937D+01
               246           247           248           249           250 
      1  -0.251718D+02  0.806543D+01  0.814952D+01 -0.260686D+01 -0.718036D+01
      2   0.212572D+02 -0.362227D+01 -0.323843D+01  0.150806D+00  0.920734D+01
      3   0.391459D+01 -0.444316D+01 -0.491109D+01  0.245606D+01 -0.202698D+01
      4  -0.750935D+01  0.174361D+02  0.709270D+01 -0.499173D+01 -0.143248D+01
      5   0.326825D+02 -0.482246D+01 -0.665007D+01 -0.233777D-02  0.215473D+02
      6   0.404936D+01 -0.552876D+01 -0.296729D+01  0.323402D+01  0.277422D+01
               251           252           253           254           255 
      1  -0.146736D+01  0.876952D+01  0.776715D+02 -0.227371D+02  0.332589D+02
      2   0.153845D+00 -0.100034D+02 -0.515544D+02  0.128064D+02 -0.254077D+02
      3   0.131351D+01  0.123390D+01 -0.261171D+02  0.993071D+01 -0.785125D+01
      4  -0.190320D+01  0.584165D+00 -0.258697D+02  0.206561D+02 -0.828638D+01
      5   0.117782D+01 -0.127406D+02  0.594591D+02 -0.125829D+02  0.391879D+02
      6   0.180034D+01 -0.385947D+00 -0.794837D+01  0.702148D+01 -0.448360D+01
               256           257           258           259           260 
      1  -0.433430D+02  0.117624D+02 -0.909701D+01  0.505853D+02 -0.563177D+01
      2   0.324208D+02 -0.687671D+01  0.153992D+02 -0.463068D+02  0.104299D+02
      3   0.109222D+02 -0.488567D+01 -0.630216D+01 -0.427856D+01 -0.479810D+01
      4   0.226998D+02 -0.350698D+02  0.210690D+02 -0.130347D+02  0.272559D+02
      5  -0.348146D+02  0.215346D+02 -0.360130D+02  0.716854D+02 -0.258213D+02
      6   0.960003D+01 -0.141539D+02  0.129784D+02 -0.550692D+01  0.154000D+02
               261           262           263           264           265 
      1   0.141825D+02 -0.217048D+01  0.120203D+02  0.140937D+01  0.144365D+02
      2  -0.412657D+02  0.500148D+01 -0.542800D+01 -0.454628D+00 -0.390453D+01
      3   0.270832D+02 -0.283100D+01 -0.659234D+01 -0.954738D+00 -0.105320D+02
      4  -0.247394D+02 -0.145804D+00 -0.198636D+01 -0.123077D+02  0.117138D+02
      5   0.731158D+02 -0.884350D+01 -0.819259D+01 -0.102411D+02 -0.940860D+01
      6  -0.135222D+02 -0.299321D+01 -0.625678D+01 -0.881296D+01 -0.638228D+01
               266           267           268           269           270 
      1  -0.106920D+02 -0.529954D+01 -0.620221D+01 -0.595418D+01 -0.705572D+01
      2   0.291049D+02  0.474470D+01  0.267827D+01  0.188223D+01  0.631400D+01
      3  -0.184129D+02  0.554841D+00  0.352394D+01  0.407196D+01  0.741722D+00
      4   0.300468D+02 -0.136739D+02 -0.255111D+02 -0.253692D+02 -0.211100D+02
      5  -0.132217D+02 -0.155403D+02 -0.213754D+02 -0.191241D+02 -0.385100D+02
      6   0.277966D+01 -0.241959D+01 -0.147964D+02 -0.818032D+01 -0.187048D+02
               271           272           273           274           275 
      1   0.966424D+01  0.768691D+01  0.807371D+01  0.350786D+01 -0.282940D+01
      2  -0.451203D+01 -0.338742D+01 -0.487629D+01  0.113099D+01  0.648419D+01
      3  -0.515221D+01 -0.429949D+01 -0.319742D+01 -0.463885D+01 -0.365479D+01
      4   0.187327D+02  0.163578D+02  0.140390D+02  0.157340D+02  0.248003D+02
      5   0.163117D+02  0.125643D+02  0.170230D+02  0.997558D+01  0.136557D+02
      6   0.941773D+01  0.687933D+01  0.778189D+01  0.752779D+01  0.129518D+02
               276           277           278           279 
      1  -0.159472D+01  0.658532D+01 -0.195649D+01 -0.242939D+01
      2   0.288497D+01 -0.636669D+01 -0.108250D+00 -0.676638D+01
      3  -0.129026D+01 -0.218624D+00  0.206474D+01  0.919577D+01
      4   0.148319D+02  0.257905D+02  0.315249D+02  0.326802D+02
      5   0.147314D+02  0.306832D+02  0.295248D+02  0.456237D+02
      6   0.110344D+02  0.163988D+02  0.208083D+02  0.260336D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.128635D+01      0.326958D+01      0.109061D+02
   x          0.785317D+00      0.199608D+01      0.665820D+01
   y         -0.909047D+00     -0.231057D+01     -0.770722D+01
   z          0.460015D+00      0.116924D+01      0.390017D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183740D+03      0.272275D+02      0.302947D+02
   aniso      0.141738D+03      0.210033D+02      0.233694D+02
   xx         0.270360D+03      0.400631D+02      0.445763D+02
   yx        -0.156600D+02     -0.232057D+01     -0.258198D+01
   yy         0.167803D+03      0.248658D+02      0.276669D+02
   zx        -0.741308D+01     -0.109851D+01     -0.122225D+01
   zy        -0.446929D+01     -0.662280D+00     -0.736886D+00
   zz         0.113059D+03      0.167537D+02      0.186410D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.208121D+03      0.308404D+02      0.343146D+02
   aniso      0.170030D+03      0.251959D+02      0.280342D+02
   xx         0.312154D+03      0.462565D+02      0.514673D+02
   yx        -0.211873D+02     -0.313963D+01     -0.349331D+01
   yy         0.187375D+03      0.277661D+02      0.308940D+02
   zx        -0.832038D+01     -0.123295D+01     -0.137185D+01
   zy        -0.486432D+01     -0.720818D+00     -0.802019D+00
   zz         0.124834D+03      0.184985D+02      0.205824D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          4.75335576          1.98501129          3.69511908
     6          3.07281354          0.36052557          4.99247124
     6          4.23262703          2.71515831          1.25347388
     6          2.03700288          1.86505548          0.01517188
     6          0.33123038          0.22805073          1.31453043
     6          0.92371581         -0.48457216          3.81547876
     6          1.44118965          2.56875924         -2.49775421
     6         -0.71048013          1.70551346         -3.64224433
     6         -2.41986490          0.09442741         -2.36014214
     6         -1.87475247         -0.62281730          0.07274424
     6         -4.78465625         -0.80857364         -3.72124387
     8          6.92114707          2.90218532          4.73587398
     6          7.54762394          2.20076193          7.24295826
     1          3.46617440         -0.22304493          6.90735264
     1          5.54144705          3.95678366          0.29000863
     1         -0.35667870         -1.72777059          4.81811904
     1          2.72076872          3.80502658         -3.50908439
     1         -1.12765291          2.25557151         -5.56883230
     1         -3.13045948         -1.88293688          1.08285368
     1         -4.89233576          0.19394207         -5.51621761
     6         -7.21859209         -0.33599156         -2.22564878
     6         -4.45852275         -3.56168229         -4.46035206
     1          9.32653135          3.13960482          7.66225343
     1          7.79904654          0.15657394          7.41879616
     1          6.11147011          2.83171837          8.58919149
     1         -7.41593426          1.68082531         -1.85505838
     1         -7.20189090         -1.32842694         -0.42475833
     1         -8.86788853         -0.97029143         -3.28856086
     8         -3.82441436         -4.29400289         -6.51688590
     8         -4.92369910         -5.16892291         -2.52216892
     1         -4.59302439         -6.85939875         -3.14800340

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.128635D+01      0.326958D+01      0.109061D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.128635D+01      0.326958D+01      0.109061D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183740D+03      0.272275D+02      0.302947D+02
   aniso      0.141738D+03      0.210033D+02      0.233694D+02
   xx         0.202455D+03      0.300008D+02      0.333804D+02
   yx         0.368575D+02      0.546172D+01      0.607698D+01
   yy         0.137206D+03      0.203318D+02      0.226222D+02
   zx         0.607678D+02      0.900485D+01      0.100193D+02
   zy         0.716465D+00      0.106169D+00      0.118129D+00
   zz         0.211560D+03      0.313500D+02      0.348815D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.208121D+03      0.308404D+02      0.343146D+02
   aniso      0.170030D+03      0.251959D+02      0.280342D+02
   xx         0.229226D+03      0.339677D+02      0.377942D+02
   yx         0.420263D+02      0.622766D+01      0.692920D+01
   yy         0.152148D+03      0.225459D+02      0.250857D+02
   zx         0.739611D+02      0.109599D+02      0.121945D+02
   zy         0.177886D+01      0.263600D+00      0.293295D+00
   zz         0.242991D+03      0.360075D+02      0.400638D+02

 ----------------------------------------------------------------------
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 AND HERE I AM, FOR ALL MY LORE,
 THE WRETCHED FOOL I WAS BEFORE.
 CALLED MASTER OF ARTS, AND DOCTOR TO BOOT,
 FOR TEN YEARS ALMOST I CONFUTE
 AND UP AND DOWN, WHEREVER IT GOES
 I DRAG MY STUDENTS BY THE NOSE --
 AND SEE THAT FOR ALL OUR SCIENCE AND ART
 WE CAN KNOW NOTHING.  IT BURNS MY HEART.

                                       -- FAUST
 Job cpu time:       0 days 20 hours  4 minutes 30.9 seconds.
 Elapsed time:       0 days  2 hours 30 minutes 40.2 seconds.
 File lengths (MBytes):  RWF=    750 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep 29 13:56:13 2021.
